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-f61fed58/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2rqc_rna-f61fed58/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 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-f61fed58/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2rqc_rna-f61fed58/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 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-f61fed58/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2rqc_rna-f61fed58/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 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-f61fed58/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2rqc_rna-f61fed58/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 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-f61fed58/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2rqc_rna-f61fed58/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 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-f61fed58/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2rqc_rna-f61fed58/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 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-f61fed58/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2rqc_rna-f61fed58/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 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-f61fed58/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2rqc_rna-f61fed58/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 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-f61fed58/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2rqc_rna-f61fed58/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 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-f61fed58/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2rqc_rna-f61fed58/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 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: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -20.715756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.715756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.715756 (E_RNA) where: Base-Base interactions energy: -1.040 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -19.576360 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -4.724 tors. eta vs tors. theta energy: 0.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -19.067193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.067193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.067193 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.040 local terms energy: -19.026714 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -5.674 flat angles P-C4'-P energy: -4.651 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: 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: 7 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -21.647317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.647317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.647317 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.647111 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.893 flat angles P-C4'-P energy: -3.082 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: 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: 6 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -19.486302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.486302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.486302 (E_RNA) where: Base-Base interactions energy: -4.297 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.684 local terms energy: -15.873381 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.658 flat angles P-C4'-P energy: -2.525 tors. eta vs tors. theta energy: 1.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 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: 7 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -22.021417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.021417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.021417 (E_RNA) where: Base-Base interactions energy: -4.716 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -17.302073 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.195 flat angles P-C4'-P energy: -2.532 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: 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: 6 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -19.413694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.413694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.413694 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.413486 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.236 flat angles P-C4'-P energy: -2.433 tors. eta vs tors. theta energy: -1.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 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: 3 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -23.205890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.205890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.205890 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.048 local terms energy: -23.157830 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -3.841 tors. eta vs tors. theta energy: -2.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -22.898903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.898903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.898903 (E_RNA) where: Base-Base interactions energy: -0.878 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.161 local terms energy: -21.860047 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -3.089 tors. eta vs tors. theta energy: -3.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -22.201501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.201501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.201501 (E_RNA) where: Base-Base interactions energy: -4.025 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.072 local terms energy: -18.103917 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -3.979 flat angles C4'-P-C4' energy: -4.473 flat angles P-C4'-P energy: -3.379 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: 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: 6 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -20.049042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.049042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.049042 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.069 local terms energy: -19.980459 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.134 flat angles P-C4'-P energy: -4.058 tors. eta vs tors. theta energy: 0.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -23.645741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.645741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.645741 (E_RNA) where: Base-Base interactions energy: -4.239 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.076 local terms energy: -19.331109 where: bonds (distance) C4'-P energy: -3.668 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.590 flat angles P-C4'-P energy: -3.585 tors. eta vs tors. theta energy: -1.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -21.808065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.808065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.808065 (E_RNA) where: Base-Base interactions energy: -1.789 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -19.992086 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -4.674 flat angles P-C4'-P energy: -3.466 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: 3, replica: 5 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -20.471017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.471017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.471017 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.470936 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -5.114 flat angles P-C4'-P energy: -4.132 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: 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: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -19.024981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.024981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.024981 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -19.018328 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.565 flat angles P-C4'-P energy: -2.976 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: 9, replica: 4 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -18.572761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.572761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.572761 (E_RNA) where: Base-Base interactions energy: 0.183 where: short stacking energy: 0.183 Base-Backbone interact. energy: -0.001 local terms energy: -18.754898 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.335 flat angles P-C4'-P energy: -2.589 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: 10, replica: 6 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -18.769454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.769454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.769454 (E_RNA) where: Base-Base interactions energy: -0.496 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.640 local terms energy: -16.633447 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -4.452 flat angles C4'-P-C4' energy: -3.579 flat angles P-C4'-P energy: -3.998 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: 7 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -23.893539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.893539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.893539 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.893537 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -4.464 tors. eta vs tors. theta energy: -3.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -22.211314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.211314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.211314 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -22.209241 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -3.810 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: 3, replica: 9 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -21.856370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.856370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.856370 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -21.849789 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -3.991 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: 4, replica: 5 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -20.113401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.113401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.113401 (E_RNA) where: Base-Base interactions energy: 0.990 where: short stacking energy: 0.186 Base-Backbone interact. energy: -0.118 local terms energy: -20.985003 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -3.338 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: 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: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -19.201968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.201968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.201968 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -19.194833 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.618 flat angles C4'-P-C4' energy: -3.759 flat angles P-C4'-P energy: -3.627 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: 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: 6 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -20.481430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.481430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.481430 (E_RNA) where: Base-Base interactions energy: -5.349 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.112 local terms energy: -15.020249 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -1.502 flat angles P-C4'-P energy: -4.754 tors. eta vs tors. theta energy: 2.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -19.339113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.339113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.339113 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -19.325846 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.057 flat angles P-C4'-P energy: -3.512 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: 1, replica: 7 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -22.794620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.794620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.794620 (E_RNA) where: Base-Base interactions energy: -2.224 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.058 local terms energy: -20.512136 where: bonds (distance) C4'-P energy: -4.253 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -4.388 tors. eta vs tors. theta energy: -0.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -22.309805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.309805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.309805 (E_RNA) where: Base-Base interactions energy: -2.196 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -20.086166 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.526 flat angles P-C4'-P energy: -3.527 tors. eta vs tors. theta energy: -0.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -22.880931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.880931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.880931 (E_RNA) where: Base-Base interactions energy: -1.407 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.474287 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -4.619 flat angles P-C4'-P energy: -3.829 tors. eta vs tors. theta energy: -3.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 5 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -20.586612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.586612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.586612 (E_RNA) where: Base-Base interactions energy: -5.317 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -15.263745 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -4.539 flat angles P-C4'-P energy: -2.482 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: 6, replica: 8 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -22.890533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.890533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.890533 (E_RNA) where: Base-Base interactions energy: -4.906 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -17.975174 where: bonds (distance) C4'-P energy: -4.451 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.333 flat angles P-C4'-P energy: -3.842 tors. eta vs tors. theta energy: 0.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 6 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -20.192057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.192057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.192057 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -20.178777 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.539 flat angles P-C4'-P energy: -2.888 tors. eta vs tors. theta energy: -1.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 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: 4 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -18.015028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.015028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.015028 (E_RNA) where: Base-Base interactions energy: -1.490 where: short stacking energy: 0.800 Base-Backbone interact. energy: -0.031 local terms energy: -16.494119 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.019 flat angles C4'-P-C4' energy: -4.283 flat angles P-C4'-P energy: -3.877 tors. eta vs tors. theta energy: 0.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -21.918077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.918077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.918077 (E_RNA) where: Base-Base interactions energy: -1.668 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.275 local terms energy: -19.974927 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.218 flat angles P-C4'-P energy: -3.942 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: 10 Temperature: 0.950000 Total energy: -22.349008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.349008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.349008 (E_RNA) where: Base-Base interactions energy: -1.642 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.706086 where: bonds (distance) C4'-P energy: -2.675 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.234 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -4.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -20.832584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.832584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.832584 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.008 local terms energy: -19.824807 where: bonds (distance) C4'-P energy: -3.951 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -3.821 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: 10 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -21.562249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.562249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.562249 (E_RNA) where: Base-Base interactions energy: -1.743 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.819597 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.299 flat angles P-C4'-P energy: -2.619 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: 5, replica: 8 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -21.542773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.542773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.542773 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.542762 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -4.116 tors. eta vs tors. theta energy: -1.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -21.215277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.215277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.215277 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.215277 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.293 flat angles C4'-P-C4' energy: -4.480 flat angles P-C4'-P energy: -4.274 tors. eta vs tors. theta energy: -2.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -19.560045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.560045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.560045 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.559925 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -2.500 tors. eta vs tors. theta energy: -1.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 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: 4 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -18.129496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.129496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.129496 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.117 local terms energy: -18.012522 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.701 flat angles P-C4'-P energy: -3.382 tors. eta vs tors. theta energy: 0.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 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: 9 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -20.771138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.771138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.771138 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.144 local terms energy: -20.627131 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -4.203 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: 2, replica: 3 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -22.932882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.932882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.932882 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -22.931515 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.524 flat angles P-C4'-P energy: -4.073 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: 3, replica: 7 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -21.090689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.090689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.090689 (E_RNA) where: Base-Base interactions energy: -1.452 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.638174 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.850 flat angles P-C4'-P energy: -4.235 tors. eta vs tors. theta energy: -1.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -21.461941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.461941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.461941 (E_RNA) where: Base-Base interactions energy: -4.373 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.135 local terms energy: -16.954641 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -4.347 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: 5, replica: 10 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -19.641137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.641137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.641137 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.174 local terms energy: -19.466774 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.607 flat angles P-C4'-P energy: -3.896 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: 11 Temperature: 1.150000 Total energy: -22.443695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.443695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.443695 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.000 local terms energy: -22.643694 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -3.520 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: 7, replica: 5 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -20.807966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.807966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.807966 (E_RNA) where: Base-Base interactions energy: -0.538 where: short stacking energy: 0.412 Base-Backbone interact. energy: -0.373 local terms energy: -19.896855 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -2.443 flat angles P-C4'-P energy: -4.712 tors. eta vs tors. theta energy: -1.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -18.438559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.438559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.438559 (E_RNA) where: Base-Base interactions energy: -0.156 where: short stacking energy: 0.356 Base-Backbone interact. energy: -0.455 local terms energy: -17.828149 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.005 flat angles P-C4'-P energy: -2.813 tors. eta vs tors. theta energy: -0.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 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: 3 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -22.513676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.513676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.513676 (E_RNA) where: Base-Base interactions energy: -2.892 where: short stacking energy: 0.126 Base-Backbone interact. energy: -0.000 local terms energy: -19.621063 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -4.470 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -3.874 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: 2, replica: 9 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -21.675826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.675826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.675826 (E_RNA) where: Base-Base interactions energy: -2.641 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.136 local terms energy: -18.898705 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -3.266 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: 8 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -22.194153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.194153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.194153 (E_RNA) where: Base-Base interactions energy: -2.360 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.833780 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.020 flat angles P-C4'-P energy: -1.447 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: 4, replica: 7 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -20.460170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.460170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.460170 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.237 local terms energy: -20.223479 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.115 flat angles P-C4'-P energy: -4.455 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: 6 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -19.794699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.794699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.794699 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -19.784793 where: bonds (distance) C4'-P energy: -3.760 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -4.957 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: 6, replica: 10 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -19.606363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.606363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.606363 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -19.509937 where: bonds (distance) C4'-P energy: -4.431 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -5.122 flat angles P-C4'-P energy: -3.763 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: 4 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -19.322543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.322543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.322543 (E_RNA) where: Base-Base interactions energy: 0.808 where: short stacking energy: 1.442 Base-Backbone interact. energy: -0.000 local terms energy: -20.130198 where: bonds (distance) C4'-P energy: -4.315 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.083 flat angles P-C4'-P energy: -2.843 tors. eta vs tors. theta energy: -1.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -19.378317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.378317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.378317 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.376623 where: bonds (distance) C4'-P energy: -3.983 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -3.698 tors. eta vs tors. theta energy: -0.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 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: 3 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -23.097685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.097685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.097685 (E_RNA) where: Base-Base interactions energy: -5.159 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.154 local terms energy: -17.783945 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -3.380 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: 8 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -22.146539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.146539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.146539 (E_RNA) where: Base-Base interactions energy: -2.804 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.078 local terms energy: -19.264926 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -3.607 flat angles P-C4'-P energy: -4.135 tors. eta vs tors. theta energy: -0.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -21.267978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.267978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.267978 (E_RNA) where: Base-Base interactions energy: -9.422 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.257 local terms energy: -11.589580 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.708 flat angles P-C4'-P energy: 0.393 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: 4, replica: 6 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -21.990020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.990020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.990020 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.990020 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.535 flat angles P-C4'-P energy: -3.649 tors. eta vs tors. theta energy: -2.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -22.601608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.601608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.601608 (E_RNA) where: Base-Base interactions energy: -2.753 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.065 local terms energy: -19.784268 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.286 flat angles P-C4'-P energy: -4.399 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: 6, replica: 4 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -20.150332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.150332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.150332 (E_RNA) where: Base-Base interactions energy: 0.153 where: short stacking energy: 0.153 Base-Backbone interact. energy: -0.000 local terms energy: -20.302796 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.083 flat angles P-C4'-P energy: -4.717 tors. eta vs tors. theta energy: -1.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -19.574278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.574278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.574278 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.259 local terms energy: -19.315722 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.740 flat angles P-C4'-P energy: -3.934 tors. eta vs tors. theta energy: -0.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 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: 5 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -20.601524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.601524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.601524 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.601520 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -2.273 tors. eta vs tors. theta energy: -1.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 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: 8 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -21.550585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.550585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.550585 (E_RNA) where: Base-Base interactions energy: -6.174 where: short stacking energy: 0.015 Base-Backbone interact. energy: -0.040 local terms energy: -15.336255 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: 0.346 tors. eta vs tors. theta energy: -0.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -21.886416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.886416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.886416 (E_RNA) where: Base-Base interactions energy: -4.731 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.123 local terms energy: -17.031990 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -2.865 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: 3, replica: 6 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -21.958581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.958581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.958581 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.033 local terms energy: -21.925238 where: bonds (distance) C4'-P energy: -3.382 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -4.102 tors. eta vs tors. theta energy: -3.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -21.109184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.109184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.109184 (E_RNA) where: Base-Base interactions energy: 0.076 where: short stacking energy: 0.076 Base-Backbone interact. energy: -0.000 local terms energy: -21.185196 where: bonds (distance) C4'-P energy: -5.175 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -5.474 flat angles P-C4'-P energy: -4.379 tors. eta vs tors. theta energy: -1.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -20.469189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.469189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.469189 (E_RNA) where: Base-Base interactions energy: 0.167 where: short stacking energy: 0.167 Base-Backbone interact. energy: -0.004 local terms energy: -20.632560 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -4.945 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -4.339 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: 7 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -19.991751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.991751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.991751 (E_RNA) where: Base-Base interactions energy: -2.388 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -17.513076 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.861 flat angles P-C4'-P energy: -3.570 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: 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: 10 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -22.419052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.419052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.419052 (E_RNA) where: Base-Base interactions energy: -5.367 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.080 local terms energy: -17.131961 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -3.303 flat angles P-C4'-P energy: -3.953 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: 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: 5 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -19.146492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.146492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.146492 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.202 local terms energy: -18.944930 where: bonds (distance) C4'-P energy: -3.420 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.566 flat angles P-C4'-P energy: -3.417 tors. eta vs tors. theta energy: -1.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -21.850155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.850155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.850155 (E_RNA) where: Base-Base interactions energy: -5.871 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -15.958478 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -2.944 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: 0.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -22.674398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.674398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.674398 (E_RNA) where: Base-Base interactions energy: -2.403 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.134 local terms energy: -20.137490 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.344 flat angles P-C4'-P energy: -2.394 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: 3 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -21.005070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.005070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.005070 (E_RNA) where: Base-Base interactions energy: 0.067 where: short stacking energy: 0.067 Base-Backbone interact. energy: -0.000 local terms energy: -21.072447 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -4.142 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: 4, replica: 4 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -21.051227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.051227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.051227 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -21.034167 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -4.910 flat angles P-C4'-P energy: -4.240 tors. eta vs tors. theta energy: -1.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -19.564417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.564417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.564417 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.123 local terms energy: -19.441136 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.742 flat angles P-C4'-P energy: -3.712 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: 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: 7 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -20.748909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.748909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.748909 (E_RNA) where: Base-Base interactions energy: -4.449 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.042 local terms energy: -16.258510 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -3.092 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: 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: 10 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -20.313907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.313907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.313907 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.044 local terms energy: -20.269774 where: bonds (distance) C4'-P energy: -4.273 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.484 flat angles P-C4'-P energy: -3.083 tors. eta vs tors. theta energy: -1.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -20.210931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.210931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.210931 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.034 local terms energy: -20.176984 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.624 flat angles P-C4'-P energy: -2.451 tors. eta vs tors. theta energy: -3.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -21.340338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.340338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.340338 (E_RNA) where: Base-Base interactions energy: -4.344 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -16.991082 where: bonds (distance) C4'-P energy: -3.490 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -3.356 tors. eta vs tors. theta energy: 0.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -22.779885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.779885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.779885 (E_RNA) where: Base-Base interactions energy: -2.135 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.402 local terms energy: -21.046302 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -3.336 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: 3, replica: 4 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -21.665545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.665545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.665545 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -21.662364 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.449 flat angles P-C4'-P energy: -3.908 tors. eta vs tors. theta energy: -3.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -22.280898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.280898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.280898 (E_RNA) where: Base-Base interactions energy: -3.890 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.525 local terms energy: -17.866103 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.424 flat angles P-C4'-P energy: -3.229 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: 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: 9 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -21.071859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.071859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.071859 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -21.061116 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -4.521 tors. eta vs tors. theta energy: -2.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 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: 7 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -21.209577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.209577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.209577 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.207318 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -2.991 flat angles P-C4'-P energy: -3.716 tors. eta vs tors. theta energy: -3.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -20.164084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.164084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.164084 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.164075 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -3.262 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: 10, replica: 10 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -18.622964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.622964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.622964 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -18.610378 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.552 flat angles P-C4'-P energy: -4.673 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: 1, replica: 6 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -22.892657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.892657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.892657 (E_RNA) where: Base-Base interactions energy: -1.090 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.560 local terms energy: -20.243043 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.986 flat angles P-C4'-P energy: -3.008 tors. eta vs tors. theta energy: -1.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -21.726036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.726036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.726036 (E_RNA) where: Base-Base interactions energy: -3.512 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.212745 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -2.653 tors. eta vs tors. theta energy: -0.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -21.478348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.478348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.478348 (E_RNA) where: Base-Base interactions energy: -5.493 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.127 local terms energy: -15.858451 where: bonds (distance) C4'-P energy: -4.537 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.990 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: 3.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 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: 3 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -19.904918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.904918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.904918 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.043 local terms energy: -19.861975 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.315 flat angles P-C4'-P energy: -4.032 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: 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: 9 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -20.113649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.113649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.113649 (E_RNA) where: Base-Base interactions energy: -3.747 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.019 local terms energy: -16.347144 where: bonds (distance) C4'-P energy: -3.784 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.051 flat angles P-C4'-P energy: -3.233 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: 5 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -20.962826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.962826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.962826 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -20.865747 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.889 flat angles P-C4'-P energy: -4.571 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: 9, replica: 7 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -20.026119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.026119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.026119 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.023718 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -3.723 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: 10 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -18.045306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.045306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.045306 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.045271 where: bonds (distance) C4'-P energy: -5.399 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -3.140 tors. eta vs tors. theta energy: 0.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -20.956664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.956664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.956664 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -20.945854 where: bonds (distance) C4'-P energy: -4.431 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.475 flat angles P-C4'-P energy: -3.654 tors. eta vs tors. theta energy: -1.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -22.163485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.163485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.163485 (E_RNA) where: Base-Base interactions energy: -4.935 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.180 local terms energy: -17.048389 where: bonds (distance) C4'-P energy: -4.538 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.786 flat angles P-C4'-P energy: -2.997 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: 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: -21.106973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.106973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.106973 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.000 local terms energy: -21.306828 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -4.920 tors. eta vs tors. theta energy: -1.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 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: 3 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -20.888308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.888308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.888308 (E_RNA) where: Base-Base interactions energy: -4.512 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.147 local terms energy: -16.229759 where: bonds (distance) C4'-P energy: -3.702 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -4.465 flat angles P-C4'-P energy: -4.586 tors. eta vs tors. theta energy: 1.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -20.229283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.229283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.229283 (E_RNA) where: Base-Base interactions energy: -0.239 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.990006 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.287 flat angles P-C4'-P energy: -3.209 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: 8, replica: 5 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -19.147333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.147333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.147333 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.142344 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.541 flat angles P-C4'-P energy: -3.677 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: 10 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -18.539456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.539456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.539456 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.405 local terms energy: -18.134324 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.803 flat angles P-C4'-P energy: -2.896 tors. eta vs tors. theta energy: -0.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -18.562816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.562816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.562816 (E_RNA) where: Base-Base interactions energy: 0.064 where: short stacking energy: 0.064 Base-Backbone interact. energy: -0.000 local terms energy: -18.627124 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -4.151 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: 1, replica: 8 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -20.843606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.843606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.843606 (E_RNA) where: Base-Base interactions energy: -1.649 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -19.177170 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.605 flat angles P-C4'-P energy: -3.969 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: 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: 6 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -23.208394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.208394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.208394 (E_RNA) where: Base-Base interactions energy: -1.110 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.098686 where: bonds (distance) C4'-P energy: -3.661 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.339 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: -3.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 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: -20.844937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.844937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.844937 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -20.830992 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.772 flat angles P-C4'-P energy: -3.126 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: 9 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -20.256832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.256832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.256832 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.009 local terms energy: -20.265678 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.311 flat angles P-C4'-P energy: -3.903 tors. eta vs tors. theta energy: -0.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -19.686881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.686881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.686881 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.370 local terms energy: -19.317313 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.033 flat angles P-C4'-P energy: -4.470 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: 8, replica: 5 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -20.518047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.518047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.518047 (E_RNA) where: Base-Base interactions energy: -3.455 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.060 local terms energy: -17.003422 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -2.066 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: 9, replica: 10 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -18.708668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.708668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.708668 (E_RNA) where: Base-Base interactions energy: -0.063 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.643544 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.633 flat angles P-C4'-P energy: -4.521 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: 7 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -18.938785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.938785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.938785 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -18.932630 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.200 flat angles P-C4'-P energy: -2.095 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: 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: 8 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -21.104322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.104322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.104322 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.058 local terms energy: -21.046754 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.307 flat angles P-C4'-P energy: -4.532 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: 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: 6 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -20.664094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.664094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.664094 (E_RNA) where: Base-Base interactions energy: -0.633 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -19.969683 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -3.324 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: 5, replica: 9 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -22.667188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.667188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.667188 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.068 local terms energy: -22.599487 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.849 flat angles P-C4'-P energy: -4.276 tors. eta vs tors. theta energy: -2.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -19.381258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.381258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.381258 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.235 local terms energy: -19.616548 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.734 flat angles P-C4'-P energy: -3.639 tors. eta vs tors. theta energy: -1.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -21.387833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.387833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.387833 (E_RNA) where: Base-Base interactions energy: -0.852 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.019 local terms energy: -20.516798 where: bonds (distance) C4'-P energy: -4.297 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.872 flat angles P-C4'-P energy: -3.803 tors. eta vs tors. theta energy: -0.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -19.904830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.904830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.904830 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -19.876448 where: bonds (distance) C4'-P energy: -4.306 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.010 flat angles P-C4'-P energy: -2.657 tors. eta vs tors. theta energy: -1.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -18.853814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.853814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.853814 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.853796 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.059 flat angles P-C4'-P energy: -4.358 tors. eta vs tors. theta energy: 1.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -19.043193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.043193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.043193 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -18.981837 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.370 flat angles P-C4'-P energy: -4.244 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: 8 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -22.783001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.783001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.783001 (E_RNA) where: Base-Base interactions energy: 0.165 where: short stacking energy: 0.165 Base-Backbone interact. energy: -0.002 local terms energy: -22.946171 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -3.583 tors. eta vs tors. theta energy: -3.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -21.832854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.832854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.832854 (E_RNA) where: Base-Base interactions energy: 0.225 where: short stacking energy: 0.225 Base-Backbone interact. energy: -0.032 local terms energy: -22.026402 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -4.457 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: 4, replica: 9 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -20.383825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.383825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.383825 (E_RNA) where: Base-Base interactions energy: -0.186 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.145 local terms energy: -20.052536 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -3.619 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: 6 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -21.959068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.959068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.959068 (E_RNA) where: Base-Base interactions energy: -4.421 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.116 local terms energy: -17.421966 where: bonds (distance) C4'-P energy: -2.977 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.155 flat angles P-C4'-P energy: -4.590 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: 6, replica: 5 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -20.993251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.993251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.993251 (E_RNA) where: Base-Base interactions energy: -2.460 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.532963 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -3.765 flat angles C4'-P-C4' energy: -2.561 flat angles P-C4'-P energy: -4.323 tors. eta vs tors. theta energy: -2.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -21.594431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.594431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.594431 (E_RNA) where: Base-Base interactions energy: -0.852 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.830 local terms energy: -19.912654 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -0.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -19.186695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.186695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.186695 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.068 local terms energy: -19.118563 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.613 flat angles P-C4'-P energy: -3.615 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: 3 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -19.526909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.526909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.526909 (E_RNA) where: Base-Base interactions energy: -5.147 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.085 local terms energy: -14.295126 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -4.455 flat angles C4'-P-C4' energy: -2.970 flat angles P-C4'-P energy: -3.486 tors. eta vs tors. theta energy: 1.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -19.472653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.472653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.472653 (E_RNA) where: Base-Base interactions energy: -2.223 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.048 local terms energy: -17.201242 where: bonds (distance) C4'-P energy: -4.919 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.548 flat angles P-C4'-P energy: -3.786 tors. eta vs tors. theta energy: 2.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -22.972947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.972947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.972947 (E_RNA) where: Base-Base interactions energy: -3.482 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.033 local terms energy: -19.457882 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -4.024 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: 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: 9 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -22.624264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.624264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.624264 (E_RNA) where: Base-Base interactions energy: -0.527 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.569 local terms energy: -21.528172 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.848 flat angles P-C4'-P energy: -4.210 tors. eta vs tors. theta energy: -2.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -19.542861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.542861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.542861 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -19.513405 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -3.651 tors. eta vs tors. theta energy: 0.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -20.578190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.578190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.578190 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.043 local terms energy: -20.535222 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -3.486 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: 6, replica: 6 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -21.691737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.691737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.691737 (E_RNA) where: Base-Base interactions energy: 0.049 where: short stacking energy: 0.049 Base-Backbone interact. energy: -0.000 local terms energy: -21.740476 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -4.816 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: 7, replica: 7 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -19.808942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.808942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.808942 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.808942 where: bonds (distance) C4'-P energy: -4.297 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.333 flat angles P-C4'-P energy: -3.834 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: 8, replica: 4 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -20.814996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.814996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.814996 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.814832 where: bonds (distance) C4'-P energy: -3.586 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -2.859 tors. eta vs tors. theta energy: -3.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -18.851006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.851006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.851006 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.088 local terms energy: -18.763233 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.364 flat angles P-C4'-P energy: -3.040 tors. eta vs tors. theta energy: 0.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -20.557041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.557041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.557041 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.556562 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -4.392 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: 1, replica: 8 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -22.117750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.117750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.117750 (E_RNA) where: Base-Base interactions energy: 0.571 where: short stacking energy: 0.571 Base-Backbone interact. energy: -0.001 local terms energy: -22.686867 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.876 flat angles P-C4'-P energy: -3.611 tors. eta vs tors. theta energy: -3.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -21.802366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.802366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.802366 (E_RNA) where: Base-Base interactions energy: -2.804 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.998151 where: bonds (distance) C4'-P energy: -3.900 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.357 flat angles P-C4'-P energy: -3.634 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: 3, replica: 2 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -21.261755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.261755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.261755 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.261730 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.640 flat angles P-C4'-P energy: -4.420 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: 5 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -20.702237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.702237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.702237 (E_RNA) where: Base-Base interactions energy: 0.203 where: short stacking energy: 0.642 Base-Backbone interact. energy: -0.016 local terms energy: -20.888624 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -4.998 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -4.250 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: 5, replica: 1 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -19.845507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.845507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.845507 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.841769 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.459 flat angles P-C4'-P energy: -4.403 tors. eta vs tors. theta energy: 0.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -20.913833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.913833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.913833 (E_RNA) where: Base-Base interactions energy: -4.873 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -16.011139 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -4.853 flat angles P-C4'-P energy: -3.468 tors. eta vs tors. theta energy: 2.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -19.691507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.691507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.691507 (E_RNA) where: Base-Base interactions energy: -1.629 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.437 local terms energy: -17.625316 where: bonds (distance) C4'-P energy: -4.253 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -3.324 tors. eta vs tors. theta energy: 1.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -20.057129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.057129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.057129 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.057123 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.969 flat angles P-C4'-P energy: -3.701 tors. eta vs tors. theta energy: -2.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -20.746597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.746597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.746597 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.746587 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.026 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -4.553 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: 10, replica: 3 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -18.447346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.447346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.447346 (E_RNA) where: Base-Base interactions energy: 0.101 where: short stacking energy: 0.101 Base-Backbone interact. energy: -0.091 local terms energy: -18.457451 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -3.794 tors. eta vs tors. theta energy: 1.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -23.098606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.098606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.098606 (E_RNA) where: Base-Base interactions energy: -3.936 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.057 local terms energy: -19.105287 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.186 flat angles P-C4'-P energy: -4.218 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: 2, replica: 9 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -22.084148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.084148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.084148 (E_RNA) where: Base-Base interactions energy: 0.229 where: short stacking energy: 0.229 Base-Backbone interact. energy: -0.001 local terms energy: -22.312464 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.127 flat angles P-C4'-P energy: -4.740 tors. eta vs tors. theta energy: -2.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -21.910653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.910653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.910653 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.034 local terms energy: -21.876793 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.344 flat angles P-C4'-P energy: -4.300 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: 4, replica: 2 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -21.339856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.339856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.339856 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -21.245132 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.433 flat angles P-C4'-P energy: -4.195 tors. eta vs tors. theta energy: -2.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -20.650687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.650687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.650687 (E_RNA) where: Base-Base interactions energy: -2.365 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.119 local terms energy: -18.166814 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.363 flat angles P-C4'-P energy: -4.439 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: 6, replica: 1 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -19.861411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.861411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.861411 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -19.766076 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.675 flat angles P-C4'-P energy: -3.075 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: 7, replica: 10 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -20.686941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.686941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.686941 (E_RNA) where: Base-Base interactions energy: -1.912 where: short stacking energy: 0.031 Base-Backbone interact. energy: -0.610 local terms energy: -18.165067 where: bonds (distance) C4'-P energy: -4.067 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.312 flat angles P-C4'-P energy: -3.222 tors. eta vs tors. theta energy: -0.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -18.364810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.364810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.364810 (E_RNA) where: Base-Base interactions energy: -0.251 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.113792 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.377 flat angles P-C4'-P energy: -3.691 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: 9, replica: 3 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -21.675272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.675272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.675272 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.674668 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.491 flat angles P-C4'-P energy: -3.891 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: 10, replica: 4 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -18.571324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.571324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.571324 (E_RNA) where: Base-Base interactions energy: 0.215 where: short stacking energy: 0.215 Base-Backbone interact. energy: -0.000 local terms energy: -18.786337 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.529 flat angles C4'-P-C4' energy: -4.556 flat angles P-C4'-P energy: -2.978 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: 1, replica: 8 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -21.552782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.552782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.552782 (E_RNA) where: Base-Base interactions energy: 1.225 where: short stacking energy: 1.225 Base-Backbone interact. energy: -0.008 local terms energy: -22.769142 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.612 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: -2.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -22.410859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.410859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.410859 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.410640 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.951 flat angles P-C4'-P energy: -3.437 tors. eta vs tors. theta energy: -3.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -20.965805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.965805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.965805 (E_RNA) where: Base-Base interactions energy: -3.658 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.046 local terms energy: -16.262026 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.133 flat angles P-C4'-P energy: -3.064 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: 25 Temperature: 1.050000 Total energy: -21.171159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.171159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.171159 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -21.166645 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -4.186 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: 5, replica: 2 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -20.509823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.509823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.509823 (E_RNA) where: Base-Base interactions energy: -1.351 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -19.061806 where: bonds (distance) C4'-P energy: -4.369 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -4.440 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: 6, replica: 10 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -19.880744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.880744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.880744 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.051 local terms energy: -19.830105 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -2.366 flat angles P-C4'-P energy: -4.293 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: 1 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -20.462311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.462311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.462311 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -20.395193 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -2.910 flat angles P-C4'-P energy: -3.708 tors. eta vs tors. theta energy: -2.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -18.866973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.866973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.866973 (E_RNA) where: Base-Base interactions energy: 0.454 where: short stacking energy: 0.454 Base-Backbone interact. energy: -0.043 local terms energy: -19.277547 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.991 flat angles P-C4'-P energy: -4.045 tors. eta vs tors. theta energy: 0.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -20.259013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.259013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.259013 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.054 local terms energy: -20.205100 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -3.127 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: 10, replica: 4 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -18.061523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.061523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.061523 (E_RNA) where: Base-Base interactions energy: -2.019 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -16.038710 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.359 flat angles P-C4'-P energy: -2.940 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: 5 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -22.217271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.217271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.217271 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -22.117109 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.076 flat angles P-C4'-P energy: -3.953 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: 2, replica: 8 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -20.218380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.218380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.218380 (E_RNA) where: Base-Base interactions energy: -1.344 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -18.781364 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -4.319 flat angles P-C4'-P energy: -2.953 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: 3, replica: 9 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -21.800918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.800918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.800918 (E_RNA) where: Base-Base interactions energy: -2.227 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.683 local terms energy: -18.890238 where: bonds (distance) C4'-P energy: -4.273 bonds (distance) P-C4' energy: -3.991 flat angles C4'-P-C4' energy: -5.110 flat angles P-C4'-P energy: -3.072 tors. eta vs tors. theta energy: -2.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -21.061147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.061147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.061147 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.061066 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -2.924 tors. eta vs tors. theta energy: -3.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -21.365224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.365224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.365224 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.364895 where: bonds (distance) C4'-P energy: -3.171 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -5.551 flat angles P-C4'-P energy: -3.954 tors. eta vs tors. theta energy: -3.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -20.822387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.822387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.822387 (E_RNA) where: Base-Base interactions energy: -4.821 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.231 local terms energy: -15.770226 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -4.289 flat angles C4'-P-C4' energy: -4.518 flat angles P-C4'-P energy: -2.020 tors. eta vs tors. theta energy: -0.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -19.592957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.592957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.592957 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.592957 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.542 flat angles P-C4'-P energy: -4.465 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: 8, replica: 1 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -20.936640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.936640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.936640 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.936387 where: bonds (distance) C4'-P energy: -4.245 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.306 flat angles P-C4'-P energy: -3.123 tors. eta vs tors. theta energy: -3.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -19.114400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.114400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.114400 (E_RNA) where: Base-Base interactions energy: -0.051 where: short stacking energy: 1.009 Base-Backbone interact. energy: -0.058 local terms energy: -19.005502 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -3.661 tors. eta vs tors. theta energy: 0.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -21.540396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.540396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.540396 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.540393 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.294 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -2.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -24.608653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.608653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.608653 (E_RNA) where: Base-Base interactions energy: -5.781 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -18.820732 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -2.585 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: 9 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -21.587750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.587750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.587750 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.444 local terms energy: -21.143647 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.322 flat angles P-C4'-P energy: -4.541 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: 3, replica: 8 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -20.824665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.824665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.824665 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -20.812833 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -4.127 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -4.515 tors. eta vs tors. theta energy: -2.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -20.728252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.728252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.728252 (E_RNA) where: Base-Base interactions energy: -5.371 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.113 local terms energy: -15.244155 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -3.311 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -3.159 tors. eta vs tors. theta energy: 1.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -19.776728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.776728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.776728 (E_RNA) where: Base-Base interactions energy: -3.711 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.105 local terms energy: -15.961518 where: bonds (distance) C4'-P energy: -2.361 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.907 flat angles P-C4'-P energy: -2.847 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: 3 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -20.691809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.691809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.691809 (E_RNA) where: Base-Base interactions energy: -2.288 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.403184 where: bonds (distance) C4'-P energy: -3.454 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.017 flat angles P-C4'-P energy: -3.506 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: 2 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -20.694606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.694606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.694606 (E_RNA) where: Base-Base interactions energy: 0.005 where: short stacking energy: 0.005 Base-Backbone interact. energy: -0.000 local terms energy: -20.699383 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.964 flat angles P-C4'-P energy: -4.012 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: 4 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -20.083851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.083851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.083851 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -20.079013 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.653 flat angles P-C4'-P energy: -3.984 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: 9, replica: 1 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -19.225331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.225331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.225331 (E_RNA) where: Base-Base interactions energy: -0.348 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.439 local terms energy: -18.438535 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.771 flat angles P-C4'-P energy: -3.139 tors. eta vs tors. theta energy: 0.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -19.731849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.731849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.731849 (E_RNA) where: Base-Base interactions energy: -1.694 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -18.033659 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.539 flat angles P-C4'-P energy: -2.222 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: 9 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -20.915488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.915488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.915488 (E_RNA) where: Base-Base interactions energy: -1.927 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.156 local terms energy: -18.832719 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.048 flat angles P-C4'-P energy: -3.862 tors. eta vs tors. theta energy: 0.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -20.874945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.874945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.874945 (E_RNA) where: Base-Base interactions energy: 0.404 where: short stacking energy: 0.404 Base-Backbone interact. energy: -1.341 local terms energy: -19.938264 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -4.252 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -4.086 tors. eta vs tors. theta energy: -2.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -21.737798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.737798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.737798 (E_RNA) where: Base-Base interactions energy: -2.708 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -18.930048 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -4.424 flat angles P-C4'-P energy: -3.653 tors. eta vs tors. theta energy: 0.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -20.404577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.404577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.404577 (E_RNA) where: Base-Base interactions energy: -2.504 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.145 local terms energy: -17.755629 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -2.912 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: 5, replica: 3 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -21.185391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.185391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.185391 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -21.175311 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.829 flat angles P-C4'-P energy: -3.062 tors. eta vs tors. theta energy: -2.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -20.003386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.003386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.003386 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.019 local terms energy: -19.984477 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -4.444 flat angles P-C4'-P energy: -4.843 tors. eta vs tors. theta energy: 0.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -20.024563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.024563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.024563 (E_RNA) where: Base-Base interactions energy: 0.894 where: short stacking energy: 0.894 Base-Backbone interact. energy: -0.000 local terms energy: -20.918293 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.454 flat angles P-C4'-P energy: -4.531 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: 8, replica: 2 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -20.843559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.843559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.843559 (E_RNA) where: Base-Base interactions energy: -5.548 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.222 local terms energy: -14.074005 where: bonds (distance) C4'-P energy: -3.498 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.115 flat angles P-C4'-P energy: -2.735 tors. eta vs tors. theta energy: 1.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -18.870392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.870392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.870392 (E_RNA) where: Base-Base interactions energy: -0.274 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.026 local terms energy: -18.570480 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -3.881 tors. eta vs tors. theta energy: 1.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -20.364338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.364338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.364338 (E_RNA) where: Base-Base interactions energy: -4.434 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.071 local terms energy: -15.858671 where: bonds (distance) C4'-P energy: -3.065 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -4.693 flat angles P-C4'-P energy: -2.810 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: 9 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -21.005819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.005819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.005819 (E_RNA) where: Base-Base interactions energy: -1.815 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -19.123673 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -4.768 flat angles P-C4'-P energy: -4.374 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: 2, replica: 10 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -21.428666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.428666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.428666 (E_RNA) where: Base-Base interactions energy: 0.665 where: short stacking energy: 0.665 Base-Backbone interact. energy: -0.000 local terms energy: -22.093449 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.758 flat angles P-C4'-P energy: -4.091 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: 3, replica: 5 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -21.740533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.740533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.740533 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.740533 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.229 flat angles P-C4'-P energy: -3.507 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: 4, replica: 8 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -21.230956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.230956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.230956 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -21.227675 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.607 flat angles P-C4'-P energy: -2.977 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: 3 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -20.370915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.370915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.370915 (E_RNA) where: Base-Base interactions energy: -3.639 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.068 local terms energy: -16.663574 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -3.867 flat angles C4'-P-C4' energy: -3.681 flat angles P-C4'-P energy: -3.451 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: 29 Temperature: 1.150000 Total energy: -20.482493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.482493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.482493 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.482445 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -4.062 flat angles P-C4'-P energy: -3.242 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: 7, replica: 7 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -21.729403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.729403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.729403 (E_RNA) where: Base-Base interactions energy: -5.618 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.175 local terms energy: -15.936007 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -3.578 flat angles C4'-P-C4' energy: -3.833 flat angles P-C4'-P energy: -4.419 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: 8, replica: 6 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -19.467447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.467447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.467447 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.466317 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.149 flat angles C4'-P-C4' energy: -5.647 flat angles P-C4'-P energy: -2.440 tors. eta vs tors. theta energy: -2.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -19.541372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.541372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.541372 (E_RNA) where: Base-Base interactions energy: -4.810 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.149 local terms energy: -14.582394 where: bonds (distance) C4'-P energy: -4.124 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.183 flat angles P-C4'-P energy: -3.534 tors. eta vs tors. theta energy: 3.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -18.914318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.914318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.914318 (E_RNA) where: Base-Base interactions energy: -6.487 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -12.330258 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -2.731 flat angles P-C4'-P energy: -2.426 tors. eta vs tors. theta energy: 2.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -22.643114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.643114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.643114 (E_RNA) where: Base-Base interactions energy: -5.013 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.072 local terms energy: -17.557844 where: bonds (distance) C4'-P energy: -4.451 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.540 flat angles P-C4'-P energy: -3.728 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: 2, replica: 9 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -22.693816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.693816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.693816 (E_RNA) where: Base-Base interactions energy: -4.141 where: short stacking energy: 0.370 Base-Backbone interact. energy: -0.305 local terms energy: -18.247579 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -2.689 flat angles P-C4'-P energy: -3.929 tors. eta vs tors. theta energy: -0.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -20.493210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.493210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.493210 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.040 local terms energy: -20.453261 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.938 flat angles P-C4'-P energy: -4.121 tors. eta vs tors. theta energy: -1.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -20.647465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.647465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.647465 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.644621 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -4.044 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: 5, replica: 4 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -19.560120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.560120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.560120 (E_RNA) where: Base-Base interactions energy: -2.794 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.169 local terms energy: -16.597157 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -3.473 flat angles P-C4'-P energy: -3.621 tors. eta vs tors. theta energy: 0.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -19.922729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.922729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.922729 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.920720 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.284 flat angles P-C4'-P energy: -3.495 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: 6 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -20.169219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.169219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.169219 (E_RNA) where: Base-Base interactions energy: -2.004 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.127 local terms energy: -18.039043 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -3.730 tors. eta vs tors. theta energy: 2.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -19.440517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.440517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.440517 (E_RNA) where: Base-Base interactions energy: -3.511 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.101 local terms energy: -15.829282 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -3.202 tors. eta vs tors. theta energy: 3.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -18.384382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.384382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.384382 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.088 local terms energy: -18.296012 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.297 flat angles P-C4'-P energy: -4.481 tors. eta vs tors. theta energy: 1.416 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: 10, replica: 1 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -19.771953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.771953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.771953 (E_RNA) where: Base-Base interactions energy: -3.792 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.143 local terms energy: -15.837123 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.810 flat angles P-C4'-P energy: -3.055 tors. eta vs tors. theta energy: 2.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -21.807848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.807848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.807848 (E_RNA) where: Base-Base interactions energy: -5.620 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.488 local terms energy: -15.699815 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -4.170 flat angles P-C4'-P energy: -3.585 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: 2, replica: 8 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -19.985088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.985088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.985088 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.982857 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.182 flat angles P-C4'-P energy: -4.220 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: 9 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -20.423295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.423295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.423295 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.049 local terms energy: -20.373950 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -4.696 flat angles P-C4'-P energy: -4.091 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: 4 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -24.001566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.001566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.001566 (E_RNA) where: Base-Base interactions energy: -2.218 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.783520 where: bonds (distance) C4'-P energy: -4.191 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.330 flat angles P-C4'-P energy: -1.697 tors. eta vs tors. theta energy: -5.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -19.559706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.559706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.559706 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.055 local terms energy: -19.504892 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.445 flat angles P-C4'-P energy: -4.358 tors. eta vs tors. theta energy: 0.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -20.138172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.138172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.138172 (E_RNA) where: Base-Base interactions energy: 0.273 where: short stacking energy: 0.273 Base-Backbone interact. energy: -0.041 local terms energy: -20.370738 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.592 flat angles P-C4'-P energy: -3.925 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: 7, replica: 3 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -20.065641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.065641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.065641 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -19.965806 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.112 flat angles P-C4'-P energy: -4.709 tors. eta vs tors. theta energy: 0.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -18.570431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.570431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.570431 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.087 local terms energy: -18.482940 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -3.848 tors. eta vs tors. theta energy: 0.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -20.476089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.476089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.476089 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.054 local terms energy: -20.422105 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.939 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -1.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -20.955436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.955436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.955436 (E_RNA) where: Base-Base interactions energy: 1.002 where: short stacking energy: 1.002 Base-Backbone interact. energy: -0.060 local terms energy: -21.897565 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -4.464 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: 1, replica: 8 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -21.402701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.402701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.402701 (E_RNA) where: Base-Base interactions energy: -2.778 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -18.606189 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.031 flat angles P-C4'-P energy: -2.458 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: 10 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -22.323662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.323662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.323662 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -22.322125 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.682 flat angles P-C4'-P energy: -4.674 tors. eta vs tors. theta energy: -4.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -21.014945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.014945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.014945 (E_RNA) where: Base-Base interactions energy: -4.202 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.051 local terms energy: -16.761744 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.230 flat angles P-C4'-P energy: -2.676 tors. eta vs tors. theta energy: 1.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -24.606222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.606222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.606222 (E_RNA) where: Base-Base interactions energy: -8.848 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -15.659294 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.133 flat angles P-C4'-P energy: -3.139 tors. eta vs tors. theta energy: 2.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -20.960700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.960700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.960700 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.960557 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.695 flat angles P-C4'-P energy: -3.451 tors. eta vs tors. theta energy: -3.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -19.005985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.005985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.005985 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -18.913756 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -3.398 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: 7, replica: 2 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -19.463074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.463074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.463074 (E_RNA) where: Base-Base interactions energy: -1.890 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -17.570411 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.845 flat angles P-C4'-P energy: -2.204 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: 8, replica: 3 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -22.407024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.407024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.407024 (E_RNA) where: Base-Base interactions energy: -2.605 where: short stacking energy: 0.793 Base-Backbone interact. energy: 0.192 local terms energy: -19.993819 where: bonds (distance) C4'-P energy: -3.305 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.165 flat angles P-C4'-P energy: -4.320 tors. eta vs tors. theta energy: -3.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -18.662671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.662671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.662671 (E_RNA) where: Base-Base interactions energy: -4.789 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.114 local terms energy: -13.759671 where: bonds (distance) C4'-P energy: -2.307 bonds (distance) P-C4' energy: -3.994 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -3.777 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: 10, replica: 7 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -19.347391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.347391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.347391 (E_RNA) where: Base-Base interactions energy: -2.977 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.142 local terms energy: -16.228118 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.240 flat angles P-C4'-P energy: -2.883 tors. eta vs tors. theta energy: 1.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -23.412621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.412621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.412621 (E_RNA) where: Base-Base interactions energy: -7.401 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.178 local terms energy: -15.833952 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.410 flat angles P-C4'-P energy: -3.411 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: 2, replica: 4 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -21.584437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.584437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.584437 (E_RNA) where: Base-Base interactions energy: -0.708 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.245 local terms energy: -20.631685 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -3.586 tors. eta vs tors. theta energy: -0.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -21.679995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.679995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.679995 (E_RNA) where: Base-Base interactions energy: -3.855 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.085 local terms energy: -17.740429 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.551 flat angles P-C4'-P energy: -3.509 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: 4, replica: 6 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -22.437041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.437041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.437041 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.436903 where: bonds (distance) C4'-P energy: -3.792 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.730 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: -3.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -19.729945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.729945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.729945 (E_RNA) where: Base-Base interactions energy: -5.603 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.158 local terms energy: -13.969490 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -3.383 flat angles C4'-P-C4' energy: -3.128 flat angles P-C4'-P energy: -4.195 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: 6, replica: 2 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -21.968774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.968774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.968774 (E_RNA) where: Base-Base interactions energy: -2.916 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.869 local terms energy: -17.184115 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -3.486 flat angles C4'-P-C4' energy: -3.742 flat angles P-C4'-P energy: -4.616 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: 7, replica: 5 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -21.458358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.458358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.458358 (E_RNA) where: Base-Base interactions energy: -3.737 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -17.700677 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.590 flat angles P-C4'-P energy: -3.492 tors. eta vs tors. theta energy: 1.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -19.320188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.320188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.320188 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -19.220473 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -3.513 flat angles P-C4'-P energy: -4.167 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: 3 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -19.603188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.603188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.603188 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.034 local terms energy: -19.569345 where: bonds (distance) C4'-P energy: -3.234 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.476 flat angles P-C4'-P energy: -3.229 tors. eta vs tors. theta energy: -1.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -19.320201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.320201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.320201 (E_RNA) where: Base-Base interactions energy: -3.590 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -15.720525 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -0.324 flat angles P-C4'-P energy: -3.729 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: 1, replica: 4 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -21.336207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.336207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.336207 (E_RNA) where: Base-Base interactions energy: -3.974 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -17.357022 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -4.322 flat angles P-C4'-P energy: -4.214 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: 2, replica: 8 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -20.855859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.855859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.855859 (E_RNA) where: Base-Base interactions energy: -6.153 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -14.610449 where: bonds (distance) C4'-P energy: -3.747 bonds (distance) P-C4' energy: -4.550 flat angles C4'-P-C4' energy: -4.385 flat angles P-C4'-P energy: -3.473 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: 3, replica: 6 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -20.520101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.520101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.520101 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.065 local terms energy: -20.455307 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -4.664 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: 4, replica: 10 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -20.997802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.997802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.997802 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.190 local terms energy: -21.187479 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -4.116 tors. eta vs tors. theta energy: -0.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -20.015612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.015612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.015612 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.939 local terms energy: -19.076998 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -5.119 flat angles P-C4'-P energy: -3.920 tors. eta vs tors. theta energy: 0.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -19.630912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.630912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.630912 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.982 local terms energy: -18.649212 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: 0.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -21.155184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.155184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.155184 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.056 local terms energy: -21.099263 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.383 flat angles P-C4'-P energy: -2.720 tors. eta vs tors. theta energy: -2.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -19.622226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.622226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.622226 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -19.523156 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.572 flat angles P-C4'-P energy: -4.032 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: 9, replica: 7 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -18.354395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.354395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.354395 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -18.260969 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -4.198 tors. eta vs tors. theta energy: 0.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -19.476175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.476175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.476175 (E_RNA) where: Base-Base interactions energy: -2.756 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.246 local terms energy: -16.474318 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -1.843 flat angles P-C4'-P energy: -3.536 tors. eta vs tors. theta energy: 0.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -20.638709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.638709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.638709 (E_RNA) where: Base-Base interactions energy: -4.206 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -16.431795 where: bonds (distance) C4'-P energy: -2.923 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.158 flat angles P-C4'-P energy: -3.440 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: 2, replica: 8 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -24.258123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.258123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.258123 (E_RNA) where: Base-Base interactions energy: -7.787 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.120 local terms energy: -16.351116 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -4.001 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -2.889 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: 3, replica: 6 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -20.859920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.859920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.859920 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.369 local terms energy: -20.490901 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.947 flat angles P-C4'-P energy: -4.152 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: 4, replica: 2 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -22.231005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.231005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.231005 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.578 local terms energy: -21.652731 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.397 flat angles P-C4'-P energy: -3.253 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: 10 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -21.210486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.210486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.210486 (E_RNA) where: Base-Base interactions energy: -4.719 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.102 local terms energy: -16.388725 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.547 flat angles P-C4'-P energy: -3.514 tors. eta vs tors. theta energy: 2.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -19.860255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.860255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.860255 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.856962 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.200 flat angles P-C4'-P energy: -4.751 tors. eta vs tors. theta energy: 0.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -19.304264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.304264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.304264 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -19.242965 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.712 flat angles P-C4'-P energy: -2.589 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: 8, replica: 7 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -20.407265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.407265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.407265 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -20.391544 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -4.723 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: 5 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -18.933821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.933821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.933821 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.933581 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.185 flat angles P-C4'-P energy: -4.187 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: 3 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -17.799644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.799644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.799644 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -17.799639 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -3.260 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: 1, replica: 8 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -21.726681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.726681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.726681 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.726680 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.156 flat angles P-C4'-P energy: -3.286 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: 2, replica: 4 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -21.625818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.625818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.625818 (E_RNA) where: Base-Base interactions energy: 0.073 where: short stacking energy: 0.073 Base-Backbone interact. energy: -0.332 local terms energy: -21.366484 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -4.760 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: 3, replica: 2 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -23.049933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.049933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.049933 (E_RNA) where: Base-Base interactions energy: -4.752 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -18.294874 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -3.450 tors. eta vs tors. theta energy: -0.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -21.484409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.484409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.484409 (E_RNA) where: Base-Base interactions energy: -1.122 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.634 local terms energy: -19.728586 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.033 flat angles P-C4'-P energy: -4.721 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: 5, replica: 9 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -20.210740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.210740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.210740 (E_RNA) where: Base-Base interactions energy: -2.499 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.806 local terms energy: -16.905466 where: bonds (distance) C4'-P energy: -3.181 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -4.534 tors. eta vs tors. theta energy: 1.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -20.673629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.673629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.673629 (E_RNA) where: Base-Base interactions energy: -2.186 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.487962 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -3.162 flat angles P-C4'-P energy: -2.086 tors. eta vs tors. theta energy: -3.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -19.798249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.798249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.798249 (E_RNA) where: Base-Base interactions energy: 0.111 where: short stacking energy: 0.111 Base-Backbone interact. energy: -0.017 local terms energy: -19.892426 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -3.847 flat angles P-C4'-P energy: -3.091 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: 8, replica: 1 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -19.265121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.265121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.265121 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.080 local terms energy: -19.185067 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -3.994 flat angles C4'-P-C4' energy: -5.244 flat angles P-C4'-P energy: -3.529 tors. eta vs tors. theta energy: -2.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -19.196617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.196617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.196617 (E_RNA) where: Base-Base interactions energy: -1.539 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -17.652450 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -3.236 flat angles P-C4'-P energy: -4.106 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: 5 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -18.621363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.621363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.621363 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.621222 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: -3.614 tors. eta vs tors. theta energy: 0.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -20.622830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.622830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.622830 (E_RNA) where: Base-Base interactions energy: -1.519 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.120 local terms energy: -18.983585 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.329 flat angles P-C4'-P energy: -1.760 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: 2, replica: 2 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -21.892640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.892640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.892640 (E_RNA) where: Base-Base interactions energy: -3.921 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.078 local terms energy: -17.892968 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.617 flat angles P-C4'-P energy: -3.082 tors. eta vs tors. theta energy: 0.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -20.564170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.564170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.564170 (E_RNA) where: Base-Base interactions energy: -2.714 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -17.788736 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.515 flat angles P-C4'-P energy: -4.151 tors. eta vs tors. theta energy: 1.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -20.993332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.993332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.993332 (E_RNA) where: Base-Base interactions energy: -5.408 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -15.569436 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.092 flat angles P-C4'-P energy: -3.820 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: 6 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -19.933795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.933795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.933795 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.929118 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.933 flat angles P-C4'-P energy: -4.325 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: 6, replica: 7 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -20.076740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.076740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.076740 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -20.145658 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.443 flat angles P-C4'-P energy: -4.697 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: 7, replica: 10 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -19.273816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.273816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.273816 (E_RNA) where: Base-Base interactions energy: 0.231 where: short stacking energy: 0.800 Base-Backbone interact. energy: -0.000 local terms energy: -19.504843 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.151 flat angles P-C4'-P energy: -2.810 tors. eta vs tors. theta energy: -1.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -20.267268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.267268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.267268 (E_RNA) where: Base-Base interactions energy: -4.918 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.543 local terms energy: -14.806384 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -2.369 flat angles C4'-P-C4' energy: -1.697 flat angles P-C4'-P energy: -3.726 tors. eta vs tors. theta energy: -1.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -21.056858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.056858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.056858 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -21.029620 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.539 flat angles P-C4'-P energy: -4.541 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: 10, replica: 5 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -19.486398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.486398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.486398 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.483160 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -3.189 tors. eta vs tors. theta energy: -0.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -24.314115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.314115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.314115 (E_RNA) where: Base-Base interactions energy: -4.825 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.264 local terms energy: -19.225724 where: bonds (distance) C4'-P energy: -4.297 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -5.059 flat angles P-C4'-P energy: -3.398 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: 2, replica: 8 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -21.721081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.721081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.721081 (E_RNA) where: Base-Base interactions energy: -2.631 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.085011 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -2.810 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: 3, replica: 9 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -21.677097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.677097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.677097 (E_RNA) where: Base-Base interactions energy: -5.221 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -16.360978 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.414 flat angles P-C4'-P energy: -4.705 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: 4, replica: 4 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -20.260242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.260242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.260242 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.260235 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -4.183 tors. eta vs tors. theta energy: -1.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -20.215831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.215831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.215831 (E_RNA) where: Base-Base interactions energy: -4.869 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -15.333814 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.097 flat angles P-C4'-P energy: -4.146 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: 6, replica: 6 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -19.809512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.809512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.809512 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.807718 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.010 flat angles P-C4'-P energy: -4.178 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: 7, replica: 3 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -19.754334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.754334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.754334 (E_RNA) where: Base-Base interactions energy: -1.329 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -18.334597 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.690 flat angles P-C4'-P energy: -4.285 tors. eta vs tors. theta energy: 1.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -19.789739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.789739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.789739 (E_RNA) where: Base-Base interactions energy: -5.851 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -13.924355 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.761 flat angles P-C4'-P energy: -1.085 tors. eta vs tors. theta energy: 2.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -18.110526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.110526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.110526 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -18.011740 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.692 flat angles P-C4'-P energy: -3.640 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: 10, replica: 1 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -18.455636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.455636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.455636 (E_RNA) where: Base-Base interactions energy: -1.084 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -17.364290 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.812 flat angles P-C4'-P energy: -1.486 tors. eta vs tors. theta energy: -1.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -21.440596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.440596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.440596 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.393 local terms energy: -21.047719 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.190 flat angles P-C4'-P energy: -4.125 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: 2, replica: 9 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -22.198618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.198618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.198618 (E_RNA) where: Base-Base interactions energy: -5.558 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -16.638527 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.462 flat angles P-C4'-P energy: -1.234 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: 3, replica: 8 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -21.253024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.253024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.253024 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -21.192019 where: bonds (distance) C4'-P energy: -5.097 bonds (distance) P-C4' energy: -3.789 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -4.493 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: 7 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -19.797216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.797216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.797216 (E_RNA) where: Base-Base interactions energy: -1.326 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.050 local terms energy: -18.421282 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.513 flat angles P-C4'-P energy: -2.826 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: 5, replica: 4 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -20.431090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.431090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.431090 (E_RNA) where: Base-Base interactions energy: -2.201 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -18.217919 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -4.095 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: 6, replica: 3 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -20.661237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.661237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.661237 (E_RNA) where: Base-Base interactions energy: -5.107 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.004 local terms energy: -15.558177 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.049 flat angles P-C4'-P energy: -4.534 tors. eta vs tors. theta energy: 2.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -20.936630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.936630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.936630 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.000 local terms energy: -21.136627 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.005 flat angles P-C4'-P energy: -2.166 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: 5 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -19.745833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.745833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.745833 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.745785 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -4.095 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: 10 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -20.017014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.017014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.017014 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.015763 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.982 flat angles P-C4'-P energy: -4.023 tors. eta vs tors. theta energy: -0.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -19.278503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.278503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.278503 (E_RNA) where: Base-Base interactions energy: -1.426 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.249 local terms energy: -17.604298 where: bonds (distance) C4'-P energy: -5.714 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.172 flat angles P-C4'-P energy: -3.140 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: 1, replica: 9 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -24.400379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.400379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.400379 (E_RNA) where: Base-Base interactions energy: -5.361 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.198 local terms energy: -18.841172 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.242 flat angles P-C4'-P energy: -4.457 tors. eta vs tors. theta energy: 1.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -23.141051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.141051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.141051 (E_RNA) where: Base-Base interactions energy: -1.098 where: short stacking energy: 0.981 Base-Backbone interact. energy: 0.065 local terms energy: -22.107838 where: bonds (distance) C4'-P energy: -5.097 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.539 flat angles P-C4'-P energy: -3.953 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: 3, replica: 7 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -23.113882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.113882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.113882 (E_RNA) where: Base-Base interactions energy: -1.519 where: short stacking energy: 0.648 Base-Backbone interact. energy: -0.828 local terms energy: -20.767385 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.017 flat angles P-C4'-P energy: -4.225 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: 4, replica: 8 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -21.986724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.986724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.986724 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -21.887021 where: bonds (distance) C4'-P energy: -4.546 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.452 flat angles P-C4'-P energy: -4.457 tors. eta vs tors. theta energy: -3.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -22.438751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.438751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.438751 (E_RNA) where: Base-Base interactions energy: -5.281 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.062 local terms energy: -17.095657 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -4.064 tors. eta vs tors. theta energy: 2.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -21.874610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.874610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.874610 (E_RNA) where: Base-Base interactions energy: 0.458 where: short stacking energy: 0.458 Base-Backbone interact. energy: -0.000 local terms energy: -22.332232 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -2.629 flat angles P-C4'-P energy: -4.196 tors. eta vs tors. theta energy: -4.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -20.476899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.476899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.476899 (E_RNA) where: Base-Base interactions energy: -4.558 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.435 local terms energy: -16.353602 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -4.713 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -2.962 tors. eta vs tors. theta energy: 1.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -20.259951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.259951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.259951 (E_RNA) where: Base-Base interactions energy: 0.153 where: short stacking energy: 0.153 Base-Backbone interact. energy: -0.002 local terms energy: -20.410693 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.367 flat angles P-C4'-P energy: -3.025 tors. eta vs tors. theta energy: -1.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -19.593849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.593849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.593849 (E_RNA) where: Base-Base interactions energy: -3.900 where: short stacking energy: 0.024 Base-Backbone interact. energy: -0.009 local terms energy: -15.684851 where: bonds (distance) C4'-P energy: -3.400 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -2.445 flat angles P-C4'-P energy: -4.025 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: 10 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -18.599098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.599098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.599098 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -18.500594 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.811 flat angles P-C4'-P energy: -4.006 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: 1, replica: 9 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -22.565765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.565765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.565765 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -22.473186 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -4.930 tors. eta vs tors. theta energy: -1.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -21.562702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.562702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.562702 (E_RNA) where: Base-Base interactions energy: -0.248 where: short stacking energy: 0.027 Base-Backbone interact. energy: -0.000 local terms energy: -21.314423 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.786 flat angles C4'-P-C4' energy: -5.294 flat angles P-C4'-P energy: -3.390 tors. eta vs tors. theta energy: -2.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -19.970823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.970823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.970823 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -19.964570 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -3.947 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: 4, replica: 3 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -21.008640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.008640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.008640 (E_RNA) where: Base-Base interactions energy: -1.544 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.120 local terms energy: -19.344379 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.743 flat angles P-C4'-P energy: -4.731 tors. eta vs tors. theta energy: 0.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -19.536247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.536247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.536247 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -19.513346 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -4.045 tors. eta vs tors. theta energy: 1.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -19.990346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.990346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.990346 (E_RNA) where: Base-Base interactions energy: -3.614 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.041 local terms energy: -16.335001 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.459 flat angles P-C4'-P energy: -3.420 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: 7, replica: 5 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -20.314623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.314623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.314623 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -20.253933 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -4.292 tors. eta vs tors. theta energy: 0.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -18.585550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.585550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.585550 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.585547 where: bonds (distance) C4'-P energy: -3.436 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.130 flat angles P-C4'-P energy: -4.408 tors. eta vs tors. theta energy: -1.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -19.554857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.554857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.554857 (E_RNA) where: Base-Base interactions energy: -0.308 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.032 local terms energy: -19.215010 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.127 flat angles P-C4'-P energy: -3.612 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: 10 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -17.839179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.839179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.839179 (E_RNA) where: Base-Base interactions energy: 0.034 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.068 local terms energy: -17.805753 where: bonds (distance) C4'-P energy: -3.830 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -2.750 flat angles P-C4'-P energy: -3.767 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: 1, replica: 7 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -22.689672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.689672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.689672 (E_RNA) where: Base-Base interactions energy: -2.081 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.608090 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.338 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: -1.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -21.568495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.568495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.568495 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.566963 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.361 flat angles P-C4'-P energy: -4.410 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: 3, replica: 3 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -21.516730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.516730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.516730 (E_RNA) where: Base-Base interactions energy: 1.210 where: short stacking energy: 1.210 Base-Backbone interact. energy: -0.000 local terms energy: -22.726349 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -2.810 tors. eta vs tors. theta energy: -3.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -20.478018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.478018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.478018 (E_RNA) where: Base-Base interactions energy: -3.211 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.179 local terms energy: -17.087243 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.192 flat angles C4'-P-C4' energy: -4.813 flat angles P-C4'-P energy: -3.585 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: 5, replica: 4 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -20.865561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.865561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.865561 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.865560 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.391 flat angles P-C4'-P energy: -3.208 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: 6, replica: 8 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -20.737791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.737791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.737791 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.047 local terms energy: -20.691221 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -3.821 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: 7, replica: 1 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -19.773077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.773077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.773077 (E_RNA) where: Base-Base interactions energy: -2.376 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -17.330422 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.087 flat angles P-C4'-P energy: -3.394 tors. eta vs tors. theta energy: 1.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -18.425111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.425111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.425111 (E_RNA) where: Base-Base interactions energy: -0.586 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -17.738441 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -3.380 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: 10 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -18.747932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.747932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.747932 (E_RNA) where: Base-Base interactions energy: -0.172 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.102 local terms energy: -18.474493 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -2.190 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: 10, replica: 6 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -19.309052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.309052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.309052 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.303847 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.080 flat angles P-C4'-P energy: -2.179 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: 1, replica: 7 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -23.805127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.805127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.805127 (E_RNA) where: Base-Base interactions energy: -4.664 where: short stacking energy: 0.025 Base-Backbone interact. energy: -0.073 local terms energy: -19.069013 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.290 flat angles C4'-P-C4' energy: -4.902 flat angles P-C4'-P energy: -3.550 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: 2, replica: 3 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -23.397147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.397147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.397147 (E_RNA) where: Base-Base interactions energy: -4.124 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.036 local terms energy: -19.237504 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.251 flat angles P-C4'-P energy: -3.818 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: 3, replica: 9 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -20.966160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.966160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.966160 (E_RNA) where: Base-Base interactions energy: -5.637 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -15.315578 where: bonds (distance) C4'-P energy: -4.245 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.157 flat angles P-C4'-P energy: -1.737 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: 4, replica: 4 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -20.359569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.359569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.359569 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.358420 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.923 flat angles P-C4'-P energy: -4.116 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: 2 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -21.487755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.487755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.487755 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -21.484959 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.710 flat angles P-C4'-P energy: -2.921 tors. eta vs tors. theta energy: -2.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -19.115980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.115980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.115980 (E_RNA) where: Base-Base interactions energy: -1.540 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.101 local terms energy: -17.475397 where: bonds (distance) C4'-P energy: -2.815 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.130 flat angles P-C4'-P energy: -3.995 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: 8 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -20.387053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.387053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.387053 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -20.359039 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.816 flat angles P-C4'-P energy: -3.309 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: 43 Temperature: 1.250000 Total energy: -20.813383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.813383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.813383 (E_RNA) where: Base-Base interactions energy: 0.044 where: short stacking energy: 0.044 Base-Backbone interact. energy: -0.850 local terms energy: -20.007036 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.075 flat angles P-C4'-P energy: -4.322 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: 9, replica: 5 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -19.752005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.752005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.752005 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.315 local terms energy: -19.436729 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -4.385 flat angles C4'-P-C4' energy: -4.945 flat angles P-C4'-P energy: -3.792 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: 6 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -21.607410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.607410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.607410 (E_RNA) where: Base-Base interactions energy: -3.514 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.066 local terms energy: -17.027641 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -1.023 flat angles P-C4'-P energy: -3.917 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: 1, replica: 3 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -26.195610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.195610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.195610 (E_RNA) where: Base-Base interactions energy: -4.464 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.351 local terms energy: -22.082491 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -4.380 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: 2, replica: 7 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -21.272049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.272049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.272049 (E_RNA) where: Base-Base interactions energy: -1.103 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.043 local terms energy: -20.126221 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.476 flat angles C4'-P-C4' energy: -5.184 flat angles P-C4'-P energy: -3.973 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: 3, replica: 9 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -20.974697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.974697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.974697 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -20.957409 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -3.755 tors. eta vs tors. theta energy: -1.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -20.592161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.592161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.592161 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -20.571842 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: -0.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -20.992958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.992958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.992958 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -20.965705 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -4.980 flat angles C4'-P-C4' energy: -5.186 flat angles P-C4'-P energy: -3.124 tors. eta vs tors. theta energy: -2.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -20.285369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.285369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.285369 (E_RNA) where: Base-Base interactions energy: -4.311 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -15.914702 where: bonds (distance) C4'-P energy: -4.873 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.549 flat angles P-C4'-P energy: -3.632 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: 7, replica: 8 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -21.233516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.233516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.233516 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.233368 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.608 flat angles P-C4'-P energy: -4.505 tors. eta vs tors. theta energy: -1.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -21.093901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.093901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.093901 (E_RNA) where: Base-Base interactions energy: -4.981 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.526 local terms energy: -15.586408 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -3.526 flat angles C4'-P-C4' energy: -4.084 flat angles P-C4'-P energy: -3.804 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: 6 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -20.194362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.194362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.194362 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.074 local terms energy: -20.120652 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.397 flat angles P-C4'-P energy: -3.200 tors. eta vs tors. theta energy: -0.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -19.678835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.678835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.678835 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.103 local terms energy: -19.575621 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.913 flat angles P-C4'-P energy: -4.532 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: 1, replica: 3 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -23.631351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.631351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.631351 (E_RNA) where: Base-Base interactions energy: -3.071 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.561 local terms energy: -19.998949 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -4.370 flat angles P-C4'-P energy: -3.226 tors. eta vs tors. theta energy: -2.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -23.171811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.171811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.171811 (E_RNA) where: Base-Base interactions energy: -4.573 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.055 local terms energy: -18.543928 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.663 flat angles P-C4'-P energy: -4.254 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: 7 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -27.938290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.938290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.938290 (E_RNA) where: Base-Base interactions energy: -7.887 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.033 local terms energy: -20.017649 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -3.890 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: 4, replica: 1 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -20.090895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.090895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.090895 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.087666 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.720 flat angles P-C4'-P energy: -4.870 tors. eta vs tors. theta energy: 1.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -22.096919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.096919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.096919 (E_RNA) where: Base-Base interactions energy: 0.415 where: short stacking energy: 0.415 Base-Backbone interact. energy: -0.001 local terms energy: -22.511014 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.356 flat angles P-C4'-P energy: -4.457 tors. eta vs tors. theta energy: -1.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -20.503079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.503079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.503079 (E_RNA) where: Base-Base interactions energy: -1.674 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.075 local terms energy: -18.754030 where: bonds (distance) C4'-P energy: -4.431 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.234 flat angles P-C4'-P energy: -4.161 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: 7, replica: 2 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -21.479430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.479430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.479430 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.477806 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -4.850 tors. eta vs tors. theta energy: -1.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -20.019997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.019997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.019997 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.045 local terms energy: -19.975293 where: bonds (distance) C4'-P energy: -4.869 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -0.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -19.081182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.081182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.081182 (E_RNA) where: Base-Base interactions energy: -2.260 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -16.805156 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.876 flat angles P-C4'-P energy: -2.284 tors. eta vs tors. theta energy: -0.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -21.015663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.015663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.015663 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -21.010556 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -3.274 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: 1, replica: 9 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -25.092804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.092804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.092804 (E_RNA) where: Base-Base interactions energy: -5.109 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.982409 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.078 flat angles P-C4'-P energy: -4.316 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: 2, replica: 3 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -20.913687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.913687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.913687 (E_RNA) where: Base-Base interactions energy: -1.273 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.140 local terms energy: -19.500805 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.551 flat angles P-C4'-P energy: -3.975 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: 3, replica: 1 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -19.952751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.952751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.952751 (E_RNA) where: Base-Base interactions energy: -4.252 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.169 local terms energy: -15.531612 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -4.096 flat angles C4'-P-C4' energy: -4.317 flat angles P-C4'-P energy: -4.021 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: 7 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -20.574350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.574350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.574350 (E_RNA) where: Base-Base interactions energy: -0.054 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.722 local terms energy: -19.798253 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -5.318 flat angles P-C4'-P energy: -3.651 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: 5, replica: 8 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -21.412949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.412949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.412949 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.411270 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -3.176 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: 6, replica: 4 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -20.127299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.127299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.127299 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.044 local terms energy: -20.082856 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.514 flat angles P-C4'-P energy: -3.669 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: 7, replica: 6 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -20.442731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.442731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.442731 (E_RNA) where: Base-Base interactions energy: -2.136 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.304986 where: bonds (distance) C4'-P energy: -2.754 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -3.088 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: 8, replica: 2 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -19.703558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.703558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.703558 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.703142 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.946 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: -1.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -21.014839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.014839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.014839 (E_RNA) where: Base-Base interactions energy: -0.261 where: short stacking energy: 0.985 Base-Backbone interact. energy: -0.001 local terms energy: -20.752849 where: bonds (distance) C4'-P energy: -4.538 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.690 flat angles P-C4'-P energy: -4.138 tors. eta vs tors. theta energy: -2.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -20.761849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.761849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.761849 (E_RNA) where: Base-Base interactions energy: -4.651 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.060 local terms energy: -16.050384 where: bonds (distance) C4'-P energy: -3.109 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -4.184 flat angles P-C4'-P energy: -2.687 tors. eta vs tors. theta energy: -0.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -22.086552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.086552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.086552 (E_RNA) where: Base-Base interactions energy: 0.281 where: short stacking energy: 0.281 Base-Backbone interact. energy: -0.000 local terms energy: -22.367429 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -3.498 tors. eta vs tors. theta energy: -2.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -22.823734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.823734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.823734 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.087 local terms energy: -22.736415 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.034 flat angles P-C4'-P energy: -2.863 tors. eta vs tors. theta energy: -4.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -23.180787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.180787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.180787 (E_RNA) where: Base-Base interactions energy: -3.743 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.048 local terms energy: -19.389143 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -3.443 tors. eta vs tors. theta energy: 0.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -20.045568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.045568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.045568 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.043879 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.333 flat angles P-C4'-P energy: -2.510 tors. eta vs tors. theta energy: -3.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -21.205135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.205135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.205135 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.137 local terms energy: -21.068363 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.355 flat angles P-C4'-P energy: -4.369 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: 6, replica: 6 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -20.427394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.427394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.427394 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -20.413129 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -3.854 tors. eta vs tors. theta energy: -0.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -23.651934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.651934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.651934 (E_RNA) where: Base-Base interactions energy: -2.697 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.954140 where: bonds (distance) C4'-P energy: -5.283 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.991 flat angles P-C4'-P energy: -2.256 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: 8, replica: 5 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -19.232747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.232747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.232747 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.232689 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -3.837 flat angles P-C4'-P energy: -4.638 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: 2 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -19.297601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.297601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.297601 (E_RNA) where: Base-Base interactions energy: -3.133 where: short stacking energy: 0.127 Base-Backbone interact. energy: -0.104 local terms energy: -16.060944 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.055 flat angles P-C4'-P energy: -2.536 tors. eta vs tors. theta energy: 1.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -19.409090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.409090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.409090 (E_RNA) where: Base-Base interactions energy: -2.461 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.394 local terms energy: -16.554115 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -2.266 tors. eta vs tors. theta energy: 0.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -22.894060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.894060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.894060 (E_RNA) where: Base-Base interactions energy: -5.720 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.118 local terms energy: -17.055507 where: bonds (distance) C4'-P energy: -3.900 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -3.206 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: 2, replica: 9 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -22.463508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.463508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.463508 (E_RNA) where: Base-Base interactions energy: -5.869 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.435 local terms energy: -17.029631 where: bonds (distance) C4'-P energy: -4.182 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.984 flat angles P-C4'-P energy: -4.580 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: 8 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -20.763730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.763730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.763730 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.763722 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.870 flat angles P-C4'-P energy: -4.340 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: 4, replica: 3 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -23.424992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.424992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.424992 (E_RNA) where: Base-Base interactions energy: -5.725 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -17.599474 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -3.980 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: 5, replica: 6 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -19.051969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.051969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.051969 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -19.031918 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.706 flat angles P-C4'-P energy: -3.547 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: 6, replica: 7 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -20.570024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.570024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.570024 (E_RNA) where: Base-Base interactions energy: -0.468 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.082 local terms energy: -20.020199 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -3.761 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: 7, replica: 5 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -20.970296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.970296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.970296 (E_RNA) where: Base-Base interactions energy: -4.711 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -16.243799 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.706 flat angles P-C4'-P energy: -4.018 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: 4 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -20.436681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.436681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.436681 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -20.414016 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.253 flat angles P-C4'-P energy: -4.408 tors. eta vs tors. theta energy: -1.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -21.973069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.973069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.973069 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.972919 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -3.120 tors. eta vs tors. theta energy: -2.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -19.445165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.445165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.445165 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.444129 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.511 flat angles P-C4'-P energy: -4.095 tors. eta vs tors. theta energy: -0.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -26.629839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.629839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.629839 (E_RNA) where: Base-Base interactions energy: -4.384 where: short stacking energy: 0.439 Base-Backbone interact. energy: -0.584 local terms energy: -21.661506 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.802 flat angles P-C4'-P energy: -3.544 tors. eta vs tors. theta energy: -3.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -22.713443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.713443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.713443 (E_RNA) where: Base-Base interactions energy: -1.054 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.657945 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.209 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -4.419 tors. eta vs tors. theta energy: -1.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -24.376912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.376912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.376912 (E_RNA) where: Base-Base interactions energy: -5.427 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.152 local terms energy: -18.798598 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.946 flat angles P-C4'-P energy: -4.007 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: 4, replica: 6 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -21.843610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.843610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.843610 (E_RNA) where: Base-Base interactions energy: -4.338 where: short stacking energy: 0.253 Base-Backbone interact. energy: -0.069 local terms energy: -17.436979 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.708 flat angles P-C4'-P energy: -3.438 tors. eta vs tors. theta energy: 1.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -22.138244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.138244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.138244 (E_RNA) where: Base-Base interactions energy: -1.605 where: short stacking energy: 0.478 Base-Backbone interact. energy: -0.293 local terms energy: -20.240203 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.726 flat angles P-C4'-P energy: -4.153 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: 6, replica: 5 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -20.856068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.856068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.856068 (E_RNA) where: Base-Base interactions energy: -4.573 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.043 local terms energy: -16.239832 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -4.258 flat angles C4'-P-C4' energy: -3.470 flat angles P-C4'-P energy: -3.148 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: 7, replica: 7 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -21.872664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.872664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.872664 (E_RNA) where: Base-Base interactions energy: -5.400 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.253 local terms energy: -16.219356 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -3.427 flat angles P-C4'-P energy: -2.291 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: 8, replica: 10 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -20.422569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.422569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.422569 (E_RNA) where: Base-Base interactions energy: -4.803 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.171 local terms energy: -15.448296 where: bonds (distance) C4'-P energy: -2.977 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.725 flat angles P-C4'-P energy: -3.877 tors. eta vs tors. theta energy: 2.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -19.681635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.681635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.681635 (E_RNA) where: Base-Base interactions energy: 0.150 where: short stacking energy: 0.150 Base-Backbone interact. energy: -0.000 local terms energy: -19.831185 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.097 flat angles P-C4'-P energy: -3.177 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: 10, replica: 2 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -19.341113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.341113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.341113 (E_RNA) where: Base-Base interactions energy: -0.953 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.105 local terms energy: -18.283117 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.302 flat angles C4'-P-C4' energy: -4.185 flat angles P-C4'-P energy: -4.336 tors. eta vs tors. theta energy: -0.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -22.603433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.603433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.603433 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -22.598120 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.238 flat angles P-C4'-P energy: -4.724 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: 2, replica: 1 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -20.984066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.984066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.984066 (E_RNA) where: Base-Base interactions energy: -4.492 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.292 local terms energy: -16.200281 where: bonds (distance) C4'-P energy: -4.315 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -3.368 flat angles P-C4'-P energy: -3.842 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: 3, replica: 9 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -21.650316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.650316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.650316 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.650020 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -3.875 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: 6 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -20.135072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.135072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.135072 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.129026 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -4.059 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: 5, replica: 5 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -20.898488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.898488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.898488 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -20.802528 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.977 flat angles P-C4'-P energy: -3.910 tors. eta vs tors. theta energy: -1.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -19.673653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.673653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.673653 (E_RNA) where: Base-Base interactions energy: -3.785 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.111 local terms energy: -15.777741 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -4.769 tors. eta vs tors. theta energy: 4.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -20.695572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.695572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.695572 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.695571 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.332 flat angles P-C4'-P energy: -3.754 tors. eta vs tors. theta energy: -1.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -19.077878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.077878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.077878 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.116 local terms energy: -18.962328 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -3.754 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: 9, replica: 2 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -20.463196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.463196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.463196 (E_RNA) where: Base-Base interactions energy: -5.865 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -14.582704 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -5.322 flat angles P-C4'-P energy: -2.121 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: 10, replica: 4 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -18.793296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.793296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.793296 (E_RNA) where: Base-Base interactions energy: -5.390 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.472 local terms energy: -12.932116 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -3.134 flat angles P-C4'-P energy: -2.891 tors. eta vs tors. theta energy: 3.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -24.598247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.598247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.598247 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -24.598228 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.535 flat angles P-C4'-P energy: -4.667 tors. eta vs tors. theta energy: -4.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -22.299032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.299032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.299032 (E_RNA) where: Base-Base interactions energy: -6.227 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.074 local terms energy: -15.998594 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.255 flat angles P-C4'-P energy: -1.653 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: 3, replica: 1 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -20.903876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.903876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.903876 (E_RNA) where: Base-Base interactions energy: -5.573 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -15.233748 where: bonds (distance) C4'-P energy: -2.922 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -3.452 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: 4, replica: 5 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -21.594077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.594077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.594077 (E_RNA) where: Base-Base interactions energy: -4.190 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.271 local terms energy: -17.132365 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -3.535 flat angles C4'-P-C4' energy: -4.124 flat angles P-C4'-P energy: -3.941 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: 5, replica: 6 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -21.477830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.477830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.477830 (E_RNA) where: Base-Base interactions energy: -3.111 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -18.348581 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.289 flat angles P-C4'-P energy: -4.081 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: 10 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -19.664299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.664299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.664299 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.664292 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -5.468 flat angles P-C4'-P energy: -3.405 tors. eta vs tors. theta energy: -0.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -20.159923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.159923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.159923 (E_RNA) where: Base-Base interactions energy: -0.240 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.918480 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.214 flat angles P-C4'-P energy: -4.000 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: 8, replica: 2 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -20.944053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.944053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.944053 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.943603 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -3.725 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: 7 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -19.106093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.106093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.106093 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.047 local terms energy: -19.059406 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.749 flat angles P-C4'-P energy: -3.182 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: 10, replica: 4 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -19.147213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.147213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.147213 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -19.140870 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -4.080 flat angles P-C4'-P energy: -4.439 tors. eta vs tors. theta energy: -0.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -23.595668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.595668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.595668 (E_RNA) where: Base-Base interactions energy: -3.977 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.060 local terms energy: -19.558260 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.464 flat angles P-C4'-P energy: -4.215 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: 2, replica: 8 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -21.784935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.784935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.784935 (E_RNA) where: Base-Base interactions energy: -1.532 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.055 local terms energy: -19.197942 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.312 flat angles P-C4'-P energy: -3.704 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: 3, replica: 5 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -22.916768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.916768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.916768 (E_RNA) where: Base-Base interactions energy: -2.315 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.599887 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -4.708 flat angles P-C4'-P energy: -4.386 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: 4, replica: 1 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -20.979791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.979791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.979791 (E_RNA) where: Base-Base interactions energy: -3.524 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.056 local terms energy: -17.399832 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -3.901 flat angles P-C4'-P energy: -4.564 tors. eta vs tors. theta energy: 0.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -23.225284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.225284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.225284 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -23.205476 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.392 flat angles P-C4'-P energy: -3.869 tors. eta vs tors. theta energy: -2.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -18.697083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.697083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.697083 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.117 local terms energy: -18.579812 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.856 flat angles P-C4'-P energy: -3.737 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: 2 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -22.275964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.275964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.275964 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.041 local terms energy: -22.235127 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -4.485 tors. eta vs tors. theta energy: -1.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -19.853668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.853668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.853668 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.108 local terms energy: -19.745501 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -3.921 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: 9, replica: 4 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -23.594599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.594599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.594599 (E_RNA) where: Base-Base interactions energy: -5.739 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -17.760808 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -3.919 tors. eta vs tors. theta energy: 2.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -18.318560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.318560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.318560 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.063 local terms energy: -18.255585 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.632 flat angles P-C4'-P energy: -2.381 tors. eta vs tors. theta energy: 1.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -21.643212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.643212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.643212 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.065 local terms energy: -21.578237 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -3.790 tors. eta vs tors. theta energy: -2.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -20.046614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.046614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.046614 (E_RNA) where: Base-Base interactions energy: -2.070 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.804 local terms energy: -16.172809 where: bonds (distance) C4'-P energy: -3.359 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.982 flat angles P-C4'-P energy: -4.151 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: 3, replica: 5 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -21.373155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.373155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.373155 (E_RNA) where: Base-Base interactions energy: -1.073 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.297586 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -3.284 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: 4, replica: 10 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -20.267043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.267043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.267043 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -20.247390 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.097 flat angles P-C4'-P energy: -3.251 tors. eta vs tors. theta energy: -0.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -20.013336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.013336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.013336 (E_RNA) where: Base-Base interactions energy: -5.707 where: short stacking energy: 0.023 Base-Backbone interact. energy: -0.092 local terms energy: -14.214986 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.976 flat angles P-C4'-P energy: -1.011 tors. eta vs tors. theta energy: 1.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -20.171966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.171966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.171966 (E_RNA) where: Base-Base interactions energy: -1.046 where: short stacking energy: 0.477 Base-Backbone interact. energy: -1.060 local terms energy: -18.066251 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -3.205 tors. eta vs tors. theta energy: 2.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -18.700175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.700175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.700175 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.032 local terms energy: -18.667839 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.362 flat angles P-C4'-P energy: -3.788 tors. eta vs tors. theta energy: 0.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -19.567793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.567793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.567793 (E_RNA) where: Base-Base interactions energy: -2.895 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -16.669455 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -5.016 flat angles P-C4'-P energy: -0.610 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: 3 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -18.312870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.312870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.312870 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.001 local terms energy: -18.611421 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.621 flat angles P-C4'-P energy: -3.604 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: 7 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -18.001265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.001265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.001265 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -17.973216 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.880 flat angles P-C4'-P energy: -2.856 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: 1, replica: 8 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -22.616054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.616054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.616054 (E_RNA) where: Base-Base interactions energy: -2.368 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.258 local terms energy: -19.990300 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -5.133 flat angles P-C4'-P energy: -3.551 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: 2, replica: 9 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -20.771325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.771325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.771325 (E_RNA) where: Base-Base interactions energy: -1.888 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.883681 where: bonds (distance) C4'-P energy: -3.234 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.688 flat angles P-C4'-P energy: -2.703 tors. eta vs tors. theta energy: -2.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -21.091033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.091033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.091033 (E_RNA) where: Base-Base interactions energy: -0.106 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.063 local terms energy: -20.922092 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.271 flat angles C4'-P-C4' energy: -5.344 flat angles P-C4'-P energy: -3.776 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: 4, replica: 5 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -20.756250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.756250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.756250 (E_RNA) where: Base-Base interactions energy: 0.250 where: short stacking energy: 0.250 Base-Backbone interact. energy: -0.001 local terms energy: -21.004799 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.204 flat angles P-C4'-P energy: -3.657 tors. eta vs tors. theta energy: -1.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -21.989761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.989761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.989761 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -21.891495 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -4.085 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: 6, replica: 1 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -21.041576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.041576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.041576 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -20.941691 where: bonds (distance) C4'-P energy: -5.312 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.782 flat angles P-C4'-P energy: -3.625 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: 7, replica: 4 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -18.625662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.625662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.625662 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.033 local terms energy: -18.592318 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.378 flat angles P-C4'-P energy: -3.859 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: 6 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -19.790084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.790084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.790084 (E_RNA) where: Base-Base interactions energy: -1.819 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.071 local terms energy: -17.900346 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -3.550 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: 9, replica: 7 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -19.830687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.830687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.830687 (E_RNA) where: Base-Base interactions energy: -1.661 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.050 local terms energy: -18.119093 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -3.343 tors. eta vs tors. theta energy: 0.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -19.712684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.712684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.712684 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.152 local terms energy: -19.560753 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.287 flat angles P-C4'-P energy: -4.083 tors. eta vs tors. theta energy: -0.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -22.180021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.180021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.180021 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.019 local terms energy: -22.160670 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.920 flat angles P-C4'-P energy: -3.730 tors. eta vs tors. theta energy: -4.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -22.478869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.478869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.478869 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.478687 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -3.689 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: 3, replica: 9 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -22.611129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.611129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.611129 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.047 local terms energy: -22.564068 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -4.117 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: 55 Temperature: 1.050000 Total energy: -21.437914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.437914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.437914 (E_RNA) where: Base-Base interactions energy: -3.824 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.030 local terms energy: -17.584185 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -2.676 flat angles P-C4'-P energy: -2.378 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: 5, replica: 5 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -20.200656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.200656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.200656 (E_RNA) where: Base-Base interactions energy: 0.162 where: short stacking energy: 0.162 Base-Backbone interact. energy: -0.100 local terms energy: -20.262622 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.894 flat angles P-C4'-P energy: -4.017 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: 55 Temperature: 1.150000 Total energy: -22.131365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.131365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.131365 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.131362 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -3.471 tors. eta vs tors. theta energy: -3.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -20.746248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.746248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.746248 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.744799 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -3.951 tors. eta vs tors. theta energy: -0.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -19.735262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.735262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.735262 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.733427 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -0.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -18.941277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.941277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.941277 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -18.842952 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.929 flat angles P-C4'-P energy: -4.236 tors. eta vs tors. theta energy: 0.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -19.301800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.301800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.301800 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.301537 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.603 flat angles P-C4'-P energy: -3.585 tors. eta vs tors. theta energy: -0.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -22.745687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.745687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.745687 (E_RNA) where: Base-Base interactions energy: -5.446 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.105 local terms energy: -17.194940 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.685 flat angles P-C4'-P energy: -3.933 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: 2, replica: 8 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -21.289740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.289740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.289740 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -21.286055 where: bonds (distance) C4'-P energy: -3.839 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.766 flat angles P-C4'-P energy: -4.596 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: 3, replica: 2 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -21.298215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.298215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.298215 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.874 local terms energy: -20.424683 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.648 flat angles P-C4'-P energy: -4.834 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: 4, replica: 9 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -24.618105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.618105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.618105 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -2.282 local terms energy: -22.336166 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -5.631 flat angles P-C4'-P energy: -4.202 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: 5, replica: 4 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -19.246420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.246420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.246420 (E_RNA) where: Base-Base interactions energy: -3.430 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -15.781400 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.411 flat angles P-C4'-P energy: -2.718 tors. eta vs tors. theta energy: 1.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -21.722714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.722714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.722714 (E_RNA) where: Base-Base interactions energy: -4.800 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -16.863406 where: bonds (distance) C4'-P energy: -3.830 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.068 flat angles P-C4'-P energy: -4.433 tors. eta vs tors. theta energy: 1.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -19.409678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.409678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.409678 (E_RNA) where: Base-Base interactions energy: -1.900 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.155 local terms energy: -17.354348 where: bonds (distance) C4'-P energy: -3.545 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.654 flat angles P-C4'-P energy: -4.389 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: 8, replica: 1 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -19.178379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.178379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.178379 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -19.164949 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.572 flat angles P-C4'-P energy: -3.097 tors. eta vs tors. theta energy: -2.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -22.140761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.140761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.140761 (E_RNA) where: Base-Base interactions energy: -2.151 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.989863 where: bonds (distance) C4'-P energy: -3.909 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -4.857 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: 10, replica: 3 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -18.747214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.747214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.747214 (E_RNA) where: Base-Base interactions energy: 0.073 where: short stacking energy: 0.073 Base-Backbone interact. energy: -0.084 local terms energy: -18.736204 where: bonds (distance) C4'-P energy: -3.366 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -4.193 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: 57 Temperature: 0.900000 Total energy: -21.305573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.305573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.305573 (E_RNA) where: Base-Base interactions energy: -0.039 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.001 local terms energy: -21.266119 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -4.371 flat angles P-C4'-P energy: -4.285 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: 2, replica: 2 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -22.261946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.261946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.261946 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.261941 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.222 flat angles P-C4'-P energy: -3.951 tors. eta vs tors. theta energy: -3.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -20.680768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.680768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.680768 (E_RNA) where: Base-Base interactions energy: -1.941 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.738336 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.318 flat angles P-C4'-P energy: -3.935 tors. eta vs tors. theta energy: 1.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -20.684141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.684141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.684141 (E_RNA) where: Base-Base interactions energy: -3.214 where: short stacking energy: 1.432 Base-Backbone interact. energy: -0.002 local terms energy: -17.468695 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.227 flat angles P-C4'-P energy: -4.257 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: 5, replica: 9 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -21.605359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.605359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.605359 (E_RNA) where: Base-Base interactions energy: -4.797 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.178 local terms energy: -16.630467 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.142 flat angles P-C4'-P energy: -3.623 tors. eta vs tors. theta energy: 1.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -20.301122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.301122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.301122 (E_RNA) where: Base-Base interactions energy: -4.099 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.202 local terms energy: -16.000597 where: bonds (distance) C4'-P energy: -3.900 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.219 flat angles P-C4'-P energy: -4.287 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: 7, replica: 5 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -20.583868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.583868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.583868 (E_RNA) where: Base-Base interactions energy: -3.712 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -16.868018 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.257 flat angles P-C4'-P energy: -3.293 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: 6 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -20.837769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.837769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.837769 (E_RNA) where: Base-Base interactions energy: -2.172 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -18.649047 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.594 flat angles P-C4'-P energy: -4.616 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: 1 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -19.299023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.299023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.299023 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -19.240128 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -5.075 flat angles C4'-P-C4' energy: -4.375 flat angles P-C4'-P energy: -4.247 tors. eta vs tors. theta energy: -1.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -20.093774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.093774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.093774 (E_RNA) where: Base-Base interactions energy: -3.388 where: short stacking energy: 0.000 Base-Backbone interact. energy: -2.624 local terms energy: -14.081553 where: bonds (distance) C4'-P energy: -3.088 bonds (distance) P-C4' energy: -5.209 flat angles C4'-P-C4' energy: -3.955 flat angles P-C4'-P energy: -3.513 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: 1, replica: 2 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -22.396219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.396219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.396219 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.396179 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.823 flat angles P-C4'-P energy: -4.196 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: 10 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -21.672016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.672016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.672016 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.672012 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -3.007 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: 4 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -22.031667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.031667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.031667 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.063 local terms energy: -21.969057 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.367 flat angles P-C4'-P energy: -4.171 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: 4, replica: 8 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -21.317744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.317744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.317744 (E_RNA) where: Base-Base interactions energy: -1.703 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.175 local terms energy: -19.439676 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -3.370 tors. eta vs tors. theta energy: 0.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -21.869687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.869687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.869687 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -21.834933 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.973 flat angles P-C4'-P energy: -4.179 tors. eta vs tors. theta energy: -2.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -19.985777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.985777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.985777 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -19.965757 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.564 flat angles P-C4'-P energy: -4.066 tors. eta vs tors. theta energy: -1.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -21.701719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.701719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.701719 (E_RNA) where: Base-Base interactions energy: 0.285 where: short stacking energy: 0.285 Base-Backbone interact. energy: 0.326 local terms energy: -22.312949 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -3.975 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: 8, replica: 5 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -20.121868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.121868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.121868 (E_RNA) where: Base-Base interactions energy: -2.556 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -17.534979 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.419 flat angles P-C4'-P energy: -2.029 tors. eta vs tors. theta energy: -1.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -19.780465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.780465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.780465 (E_RNA) where: Base-Base interactions energy: -1.742 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.353 local terms energy: -18.391867 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.752 flat angles P-C4'-P energy: -4.348 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: 10, replica: 1 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -20.766623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.766623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.766623 (E_RNA) where: Base-Base interactions energy: -5.654 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.033 local terms energy: -15.079585 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -2.727 flat angles P-C4'-P energy: -2.039 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: 1, replica: 2 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -22.983071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.983071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.983071 (E_RNA) where: Base-Base interactions energy: -5.905 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -17.050378 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -2.759 flat angles P-C4'-P energy: -4.024 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: 2, replica: 4 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -22.911709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.911709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.911709 (E_RNA) where: Base-Base interactions energy: -4.573 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.318 local terms energy: -18.020606 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.785 flat angles P-C4'-P energy: -3.229 tors. eta vs tors. theta energy: 1.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -21.401636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.401636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.401636 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.401635 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -2.425 tors. eta vs tors. theta energy: -3.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -23.417948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.417948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.417948 (E_RNA) where: Base-Base interactions energy: -5.051 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.044 local terms energy: -18.322321 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -5.322 flat angles P-C4'-P energy: -3.192 tors. eta vs tors. theta energy: 0.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -22.886484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.886484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.886484 (E_RNA) where: Base-Base interactions energy: -1.928 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.957908 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.955 flat angles P-C4'-P energy: -3.003 tors. eta vs tors. theta energy: -2.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -20.142621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.142621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.142621 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.142619 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.592 flat angles P-C4'-P energy: -3.987 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: 7, replica: 9 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -20.001719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.001719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.001719 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.101 local terms energy: -19.900946 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.554 flat angles P-C4'-P energy: -3.888 tors. eta vs tors. theta energy: -0.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -19.622597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.622597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.622597 (E_RNA) where: Base-Base interactions energy: -5.564 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.603 local terms energy: -13.456132 where: bonds (distance) C4'-P energy: -4.140 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -2.845 tors. eta vs tors. theta energy: 3.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -18.809937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.809937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.809937 (E_RNA) where: Base-Base interactions energy: 0.203 where: short stacking energy: 0.203 Base-Backbone interact. energy: -0.000 local terms energy: -19.012273 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -3.854 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: 1 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -18.082853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.082853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.082853 (E_RNA) where: Base-Base interactions energy: -0.870 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -17.207950 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -3.645 flat angles P-C4'-P energy: -3.771 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: 1, replica: 4 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -20.996461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.996461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.996461 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.083 local terms energy: -20.913288 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.440 flat angles P-C4'-P energy: -3.595 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: 2, replica: 2 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -23.858473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.858473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.858473 (E_RNA) where: Base-Base interactions energy: -3.609 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.075 local terms energy: -20.175135 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.766 flat angles P-C4'-P energy: -4.476 tors. eta vs tors. theta energy: 1.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -20.740634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.740634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.740634 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.032 local terms energy: -20.709028 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -3.264 tors. eta vs tors. theta energy: -1.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -21.861209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.861209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.861209 (E_RNA) where: Base-Base interactions energy: -3.005 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.005 local terms energy: -18.850790 where: bonds (distance) C4'-P energy: -3.809 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.409 flat angles P-C4'-P energy: -3.479 tors. eta vs tors. theta energy: -1.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -22.000884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.000884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.000884 (E_RNA) where: Base-Base interactions energy: -3.950 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -18.046712 where: bonds (distance) C4'-P energy: -4.537 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -3.196 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: 6, replica: 8 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -21.094737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.094737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.094737 (E_RNA) where: Base-Base interactions energy: -4.276 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -16.718628 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.640 flat angles P-C4'-P energy: -4.183 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: 7, replica: 3 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -19.934916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.934916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.934916 (E_RNA) where: Base-Base interactions energy: -1.073 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -18.851315 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -3.422 tors. eta vs tors. theta energy: 0.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -20.138317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.138317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.138317 (E_RNA) where: Base-Base interactions energy: 0.169 where: short stacking energy: 0.169 Base-Backbone interact. energy: -0.005 local terms energy: -20.302035 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.561 flat angles P-C4'-P energy: -2.997 tors. eta vs tors. theta energy: -1.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -20.630253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.630253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.630253 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.052 local terms energy: -20.577946 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.115 flat angles P-C4'-P energy: -3.317 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: 10, replica: 5 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -20.457706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.457706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.457706 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -20.439436 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.233 flat angles P-C4'-P energy: -3.749 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: 1, replica: 4 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -22.924439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.924439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.924439 (E_RNA) where: Base-Base interactions energy: -2.908 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.044 local terms energy: -19.972983 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.168 flat angles P-C4'-P energy: -3.939 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: 2, replica: 10 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -20.611383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.611383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.611383 (E_RNA) where: Base-Base interactions energy: 0.044 where: short stacking energy: 0.044 Base-Backbone interact. energy: -0.025 local terms energy: -20.629829 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.047 flat angles C4'-P-C4' energy: -5.413 flat angles P-C4'-P energy: -3.962 tors. eta vs tors. theta energy: -1.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -20.410461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.410461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.410461 (E_RNA) where: Base-Base interactions energy: -0.629 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.077 local terms energy: -19.704589 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.842 flat angles P-C4'-P energy: -3.259 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: 4, replica: 6 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -20.773277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.773277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.773277 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.773036 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.926 flat angles P-C4'-P energy: -2.729 tors. eta vs tors. theta energy: -2.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -22.131516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.131516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.131516 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.070 local terms energy: -22.201547 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.149 flat angles P-C4'-P energy: -3.474 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: 3 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -20.802215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.802215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.802215 (E_RNA) where: Base-Base interactions energy: 0.716 where: short stacking energy: 0.716 Base-Backbone interact. energy: -0.060 local terms energy: -21.458719 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.415 flat angles P-C4'-P energy: -4.567 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: 7, replica: 8 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -19.541498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.541498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.541498 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.541405 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -4.419 tors. eta vs tors. theta energy: 0.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -19.353632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.353632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.353632 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.348454 where: bonds (distance) C4'-P energy: -3.382 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.785 flat angles P-C4'-P energy: -2.851 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: 9, replica: 9 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -19.043116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.043116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.043116 (E_RNA) where: Base-Base interactions energy: 0.181 where: short stacking energy: 0.181 Base-Backbone interact. energy: -0.458 local terms energy: -18.765910 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.137 flat angles P-C4'-P energy: -3.806 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: 10, replica: 5 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -19.489006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.489006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.489006 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.486155 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.948 flat angles P-C4'-P energy: -2.805 tors. eta vs tors. theta energy: -0.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -22.122731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.122731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.122731 (E_RNA) where: Base-Base interactions energy: -1.491 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -20.626300 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -4.010 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: 2, replica: 4 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -21.867652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.867652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.867652 (E_RNA) where: Base-Base interactions energy: 1.085 where: short stacking energy: 1.085 Base-Backbone interact. energy: -0.063 local terms energy: -22.890123 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.337 flat angles P-C4'-P energy: -3.480 tors. eta vs tors. theta energy: -3.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -22.021410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.021410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.021410 (E_RNA) where: Base-Base interactions energy: -5.469 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.086 local terms energy: -16.465899 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.615 flat angles P-C4'-P energy: -3.711 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: 4, replica: 2 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -21.410211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.410211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.410211 (E_RNA) where: Base-Base interactions energy: -5.347 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.033 local terms energy: -16.029842 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -2.331 flat angles P-C4'-P energy: -4.458 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: 5, replica: 3 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -21.735395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.735395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.735395 (E_RNA) where: Base-Base interactions energy: -3.378 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -18.347568 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -5.119 flat angles P-C4'-P energy: -4.312 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: 7 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -21.318026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.318026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.318026 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.316795 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.319 flat angles P-C4'-P energy: -4.117 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: 1 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -19.946306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.946306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.946306 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.946087 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.803 flat angles P-C4'-P energy: -4.605 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: 8, replica: 8 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -19.636510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.636510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.636510 (E_RNA) where: Base-Base interactions energy: -0.141 where: short stacking energy: 0.361 Base-Backbone interact. energy: -0.000 local terms energy: -19.494840 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -3.110 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: 9, replica: 5 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -20.327971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.327971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.327971 (E_RNA) where: Base-Base interactions energy: 0.150 where: short stacking energy: 0.150 Base-Backbone interact. energy: -0.041 local terms energy: -20.437231 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.602 flat angles P-C4'-P energy: -3.995 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: 9 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -18.466219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.466219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.466219 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.019 local terms energy: -18.485116 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -2.441 flat angles P-C4'-P energy: -4.618 tors. eta vs tors. theta energy: -0.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -24.059131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.059131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.059131 (E_RNA) where: Base-Base interactions energy: -4.603 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.039 local terms energy: -19.417068 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.926 flat angles P-C4'-P energy: -3.780 tors. eta vs tors. theta energy: 1.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -20.570899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.570899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.570899 (E_RNA) where: Base-Base interactions energy: -1.999 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.482 local terms energy: -18.089144 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.794 flat angles P-C4'-P energy: -3.153 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: 3, replica: 4 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -21.810459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.810459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.810459 (E_RNA) where: Base-Base interactions energy: -3.581 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -18.217524 where: bonds (distance) C4'-P energy: -3.777 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.690 flat angles P-C4'-P energy: -2.992 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: 4, replica: 2 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -22.296690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.296690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.296690 (E_RNA) where: Base-Base interactions energy: -5.139 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.049 local terms energy: -17.108817 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.068 flat angles P-C4'-P energy: -4.554 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: 5, replica: 3 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -20.636993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.636993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.636993 (E_RNA) where: Base-Base interactions energy: -4.556 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.388 local terms energy: -15.693265 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -4.044 flat angles P-C4'-P energy: -4.087 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: 6, replica: 1 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -21.555549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.555549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.555549 (E_RNA) where: Base-Base interactions energy: -5.831 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.079 local terms energy: -15.645915 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -3.733 flat angles C4'-P-C4' energy: -4.273 flat angles P-C4'-P energy: -3.796 tors. eta vs tors. theta energy: 0.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -20.227918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.227918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.227918 (E_RNA) where: Base-Base interactions energy: 0.118 where: short stacking energy: 0.118 Base-Backbone interact. energy: -0.049 local terms energy: -20.297050 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -3.148 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: 8, replica: 5 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -21.105499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.105499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.105499 (E_RNA) where: Base-Base interactions energy: -5.961 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.118 local terms energy: -15.026443 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -2.489 flat angles P-C4'-P energy: -2.938 tors. eta vs tors. theta energy: 0.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -21.419840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.419840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.419840 (E_RNA) where: Base-Base interactions energy: -5.615 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.412 local terms energy: -15.392726 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -2.587 flat angles C4'-P-C4' energy: -4.990 flat angles P-C4'-P energy: -4.210 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: 10, replica: 9 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -18.297950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.297950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.297950 (E_RNA) where: Base-Base interactions energy: 0.142 where: short stacking energy: 0.142 Base-Backbone interact. energy: -0.002 local terms energy: -18.438164 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.280 flat angles P-C4'-P energy: -3.953 tors. eta vs tors. theta energy: 1.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -24.037276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.037276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.037276 (E_RNA) where: Base-Base interactions energy: -4.428 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.607563 where: bonds (distance) C4'-P energy: -3.685 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.927 flat angles P-C4'-P energy: -4.038 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: 2, replica: 6 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -20.639445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.639445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.639445 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.635455 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.419 flat angles P-C4'-P energy: -3.750 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: 2 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -19.921280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.921280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.921280 (E_RNA) where: Base-Base interactions energy: -0.771 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -19.126878 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.827 flat angles P-C4'-P energy: -4.207 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: 4 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -21.719202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.719202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.719202 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.719200 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.558 flat angles P-C4'-P energy: -4.596 tors. eta vs tors. theta energy: -0.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -19.827818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.827818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.827818 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.112 local terms energy: -19.715804 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -4.139 tors. eta vs tors. theta energy: -0.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -20.198792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.198792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.198792 (E_RNA) where: Base-Base interactions energy: -5.758 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -14.433284 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.903 flat angles P-C4'-P energy: -3.019 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: 7, replica: 7 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -19.703366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.703366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.703366 (E_RNA) where: Base-Base interactions energy: -1.627 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.042 local terms energy: -18.034541 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -3.793 flat angles P-C4'-P energy: -3.056 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: 8, replica: 5 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -19.571210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.571210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.571210 (E_RNA) where: Base-Base interactions energy: -2.668 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.189 local terms energy: -16.714538 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.927 flat angles P-C4'-P energy: -2.277 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: 9, replica: 9 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -20.534425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.534425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.534425 (E_RNA) where: Base-Base interactions energy: 0.154 where: short stacking energy: 0.050 Base-Backbone interact. energy: -0.949 local terms energy: -19.738914 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -3.920 tors. eta vs tors. theta energy: -0.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -18.248849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.248849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.248849 (E_RNA) where: Base-Base interactions energy: -4.730 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.260 local terms energy: -13.258233 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -0.279 flat angles P-C4'-P energy: -2.877 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: 10 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -23.289048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.289048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.289048 (E_RNA) where: Base-Base interactions energy: -3.201 where: short stacking energy: 0.511 Base-Backbone interact. energy: -0.001 local terms energy: -20.086507 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -2.682 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: 2, replica: 2 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -22.068660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.068660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.068660 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.068630 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -4.631 flat angles P-C4'-P energy: -3.685 tors. eta vs tors. theta energy: -4.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -20.437329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.437329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.437329 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.175 local terms energy: -20.262286 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -4.498 flat angles P-C4'-P energy: -4.151 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: 1 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -21.245423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.245423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.245423 (E_RNA) where: Base-Base interactions energy: 0.590 where: short stacking energy: 0.592 Base-Backbone interact. energy: -0.000 local terms energy: -21.834926 where: bonds (distance) C4'-P energy: -4.178 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.961 flat angles P-C4'-P energy: -4.024 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: 5, replica: 4 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -20.389521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.389521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.389521 (E_RNA) where: Base-Base interactions energy: -5.927 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.467 local terms energy: -13.995866 where: bonds (distance) C4'-P energy: -2.985 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.049 flat angles P-C4'-P energy: -3.336 tors. eta vs tors. theta energy: 3.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -18.930755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.930755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.930755 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -18.927986 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.535 flat angles P-C4'-P energy: -3.398 tors. eta vs tors. theta energy: 0.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -22.279348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.279348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.279348 (E_RNA) where: Base-Base interactions energy: -5.470 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.234 local terms energy: -17.042539 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.083 flat angles P-C4'-P energy: -2.288 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: 9 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -21.842681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.842681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.842681 (E_RNA) where: Base-Base interactions energy: -4.201 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.089 local terms energy: -17.551764 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -2.203 flat angles P-C4'-P energy: -4.117 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: 65 Temperature: 1.300000 Total energy: -19.979462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.979462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.979462 (E_RNA) where: Base-Base interactions energy: 0.141 where: short stacking energy: 0.141 Base-Backbone interact. energy: -0.024 local terms energy: -20.096972 where: bonds (distance) C4'-P energy: -4.299 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -4.506 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: 10, replica: 8 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -20.587866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.587866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.587866 (E_RNA) where: Base-Base interactions energy: -5.906 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.574 local terms energy: -14.108533 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.193 flat angles P-C4'-P energy: -2.654 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: 2 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -23.039338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.039338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.039338 (E_RNA) where: Base-Base interactions energy: -5.646 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -17.293766 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.544 flat angles C4'-P-C4' energy: -4.710 flat angles P-C4'-P energy: -3.458 tors. eta vs tors. theta energy: 0.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -20.454741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.454741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.454741 (E_RNA) where: Base-Base interactions energy: -2.144 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.023 local terms energy: -18.287683 where: bonds (distance) C4'-P energy: -3.462 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.047 flat angles P-C4'-P energy: -2.594 tors. eta vs tors. theta energy: -1.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -21.927051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.927051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.927051 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.927040 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -3.981 flat angles P-C4'-P energy: -3.627 tors. eta vs tors. theta energy: -3.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -19.907357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.907357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.907357 (E_RNA) where: Base-Base interactions energy: -1.611 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.073 local terms energy: -18.222818 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.725 flat angles P-C4'-P energy: -3.274 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: 5, replica: 3 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -20.584870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.584870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.584870 (E_RNA) where: Base-Base interactions energy: -3.695 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -16.877882 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.192 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -3.804 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: 4 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -20.045766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.045766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.045766 (E_RNA) where: Base-Base interactions energy: -1.429 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.168 local terms energy: -18.449190 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -2.715 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: 7, replica: 9 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -20.328740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.328740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.328740 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.328144 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -4.122 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: 8, replica: 7 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -18.854619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.854619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.854619 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.016 local terms energy: -18.870900 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.661 flat angles P-C4'-P energy: -3.371 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: 9, replica: 8 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -18.788951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.788951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.788951 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.788939 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -2.667 flat angles P-C4'-P energy: -4.564 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: 10, replica: 5 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -20.017523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.017523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.017523 (E_RNA) where: Base-Base interactions energy: -5.500 where: short stacking energy: 0.067 Base-Backbone interact. energy: -0.058 local terms energy: -14.459507 where: bonds (distance) C4'-P energy: -2.473 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.847 flat angles P-C4'-P energy: -3.214 tors. eta vs tors. theta energy: 1.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -22.336167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.336167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.336167 (E_RNA) where: Base-Base interactions energy: -5.022 where: short stacking energy: 0.120 Base-Backbone interact. energy: -0.098 local terms energy: -17.216024 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -3.761 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: 2, replica: 1 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -20.713553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.713553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.713553 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -20.619111 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.197 flat angles P-C4'-P energy: -4.276 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: 3, replica: 10 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -22.562751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.562751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.562751 (E_RNA) where: Base-Base interactions energy: -5.658 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -16.883955 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -3.419 flat angles P-C4'-P energy: -3.075 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: 4, replica: 3 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -20.511125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.511125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.511125 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.073 local terms energy: -20.438269 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -4.496 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: 5, replica: 6 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -22.736279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.736279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.736279 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -22.735448 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.664 flat angles P-C4'-P energy: -3.867 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: 6, replica: 9 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -20.015579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.015579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.015579 (E_RNA) where: Base-Base interactions energy: -0.457 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.082 local terms energy: -18.476462 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.068 flat angles P-C4'-P energy: -2.811 tors. eta vs tors. theta energy: 0.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -19.783440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.783440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.783440 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.000 local terms energy: -19.982951 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.948 flat angles P-C4'-P energy: -4.215 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: 8 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -20.111983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.111983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.111983 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.111979 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.092 flat angles P-C4'-P energy: -4.210 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: 7 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -19.473329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.473329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.473329 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.471316 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -3.873 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: 10, replica: 5 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -19.636861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.636861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.636861 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.126 local terms energy: -19.510390 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.381 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -3.420 tors. eta vs tors. theta energy: -1.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -21.834931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.834931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.834931 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.636 local terms energy: -21.199089 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -2.842 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: 2, replica: 2 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -20.811819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.811819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.811819 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -20.804906 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.490 flat angles P-C4'-P energy: -4.105 tors. eta vs tors. theta energy: -0.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -20.597567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.597567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.597567 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.593145 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -5.697 flat angles P-C4'-P energy: -4.408 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: 4, replica: 10 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -21.728222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.728222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.728222 (E_RNA) where: Base-Base interactions energy: -1.210 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -20.513620 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.461 flat angles P-C4'-P energy: -3.523 tors. eta vs tors. theta energy: -2.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -20.014398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.014398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.014398 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.014010 where: bonds (distance) C4'-P energy: -3.420 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.938 flat angles P-C4'-P energy: -3.620 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: 6, replica: 6 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -20.378821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.378821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.378821 (E_RNA) where: Base-Base interactions energy: -3.464 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.220 local terms energy: -16.694777 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -3.386 tors. eta vs tors. theta energy: 1.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -18.731999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.731999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.731999 (E_RNA) where: Base-Base interactions energy: -2.330 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -16.399478 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.137 flat angles P-C4'-P energy: -3.161 tors. eta vs tors. theta energy: 0.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -20.327418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.327418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.327418 (E_RNA) where: Base-Base interactions energy: -2.891 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.073 local terms energy: -17.509166 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.904 flat angles P-C4'-P energy: -3.893 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: 9, replica: 5 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -18.818453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.818453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.818453 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.086 local terms energy: -18.732905 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.871 flat angles P-C4'-P energy: -3.934 tors. eta vs tors. theta energy: 1.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -19.719740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.719740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.719740 (E_RNA) where: Base-Base interactions energy: -2.200 where: short stacking energy: 0.010 Base-Backbone interact. energy: -0.163 local terms energy: -17.357093 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.822 flat angles P-C4'-P energy: -3.186 tors. eta vs tors. theta energy: 1.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -24.514679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.514679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.514679 (E_RNA) where: Base-Base interactions energy: -4.554 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.109 local terms energy: -19.850840 where: bonds (distance) C4'-P energy: -5.097 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.226 flat angles P-C4'-P energy: -4.572 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: 2, replica: 3 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -22.035597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.035597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.035597 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -22.034786 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -4.329 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: 3, replica: 2 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -21.502779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.502779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.502779 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.501990 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -4.012 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: 4, replica: 9 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -21.153746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.153746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.153746 (E_RNA) where: Base-Base interactions energy: -4.820 where: short stacking energy: 0.047 Base-Backbone interact. energy: -0.013 local terms energy: -16.321007 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -2.738 flat angles P-C4'-P energy: -3.612 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: 10 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -22.470964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.470964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.470964 (E_RNA) where: Base-Base interactions energy: -1.622 where: short stacking energy: 0.410 Base-Backbone interact. energy: -0.002 local terms energy: -20.847487 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -3.424 tors. eta vs tors. theta energy: -1.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -23.083335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.083335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.083335 (E_RNA) where: Base-Base interactions energy: -5.478 where: short stacking energy: 0.130 Base-Backbone interact. energy: -0.000 local terms energy: -17.604955 where: bonds (distance) C4'-P energy: -3.942 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -2.458 flat angles P-C4'-P energy: -3.012 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: 7, replica: 6 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -18.975879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.975879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.975879 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.125 local terms energy: -18.851328 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -4.052 tors. eta vs tors. theta energy: 0.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -18.934780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.934780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.934780 (E_RNA) where: Base-Base interactions energy: -5.132 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.080 local terms energy: -13.722810 where: bonds (distance) C4'-P energy: -4.004 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -2.532 flat angles P-C4'-P energy: -4.047 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: 9, replica: 5 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -20.383434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.383434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.383434 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.383076 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -4.850 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: -0.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -19.409641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.409641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.409641 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -19.402229 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -2.890 tors. eta vs tors. theta energy: -0.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -22.642854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.642854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.642854 (E_RNA) where: Base-Base interactions energy: -2.807 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.024 local terms energy: -19.811763 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.705 flat angles P-C4'-P energy: -4.534 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: 2, replica: 1 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -24.033394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.033394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.033394 (E_RNA) where: Base-Base interactions energy: -8.413 where: short stacking energy: 0.434 Base-Backbone interact. energy: -0.189 local terms energy: -15.431102 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -2.671 flat angles P-C4'-P energy: -3.283 tors. eta vs tors. theta energy: 1.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -22.702786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.702786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.702786 (E_RNA) where: Base-Base interactions energy: 0.170 where: short stacking energy: 0.170 Base-Backbone interact. energy: -0.000 local terms energy: -22.872856 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -4.054 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: 9 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -20.275330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.275330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.275330 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.032 local terms energy: -20.243395 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -4.170 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: 5, replica: 8 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -21.049897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.049897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.049897 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -20.956870 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -4.751 tors. eta vs tors. theta energy: 0.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -20.912302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.912302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.912302 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.019 local terms energy: -20.893503 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.975 flat angles P-C4'-P energy: -4.340 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: 7, replica: 4 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -21.086099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.086099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.086099 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.086080 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.293 flat angles P-C4'-P energy: -2.664 tors. eta vs tors. theta energy: -2.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -19.768806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.768806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.768806 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.768712 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -4.740 flat angles C4'-P-C4' energy: -3.628 flat angles P-C4'-P energy: -1.086 tors. eta vs tors. theta energy: -4.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -20.650300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.650300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.650300 (E_RNA) where: Base-Base interactions energy: -1.891 where: short stacking energy: 1.000 Base-Backbone interact. energy: -0.014 local terms energy: -18.745369 where: bonds (distance) C4'-P energy: -3.818 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -3.273 tors. eta vs tors. theta energy: -1.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -18.783055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.783055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.783055 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.783052 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.765 flat angles P-C4'-P energy: -1.253 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: 1, replica: 3 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -22.866421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.866421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.866421 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.866410 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.290 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -3.477 tors. eta vs tors. theta energy: -4.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -22.062611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.062611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.062611 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.062588 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.564 flat angles P-C4'-P energy: -4.420 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: 3, replica: 1 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -22.396703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.396703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.396703 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.396672 where: bonds (distance) C4'-P energy: -3.320 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -3.719 tors. eta vs tors. theta energy: -4.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -20.687518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.687518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.687518 (E_RNA) where: Base-Base interactions energy: 0.773 where: short stacking energy: 0.773 Base-Backbone interact. energy: -0.000 local terms energy: -21.460493 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -4.583 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: 5, replica: 9 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -21.131066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.131066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.131066 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.130988 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.365 flat angles P-C4'-P energy: -3.322 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: 6, replica: 4 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -19.681316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.681316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.681316 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.680839 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -3.750 tors. eta vs tors. theta energy: -1.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -19.666932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.666932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.666932 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.074 local terms energy: -18.592576 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -2.938 flat angles C4'-P-C4' energy: -4.378 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -3.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -20.752220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.752220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.752220 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.046 local terms energy: -20.706018 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.365 flat angles P-C4'-P energy: -4.572 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: 9, replica: 6 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -20.644971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.644971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.644971 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.026 local terms energy: -20.618850 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -5.068 flat angles P-C4'-P energy: -3.325 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: 10, replica: 7 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -19.017207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.017207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.017207 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.113 local terms energy: -18.904168 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.047 flat angles C4'-P-C4' energy: -5.116 flat angles P-C4'-P energy: -2.399 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: 1, replica: 2 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -24.159176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.159176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.159176 (E_RNA) where: Base-Base interactions energy: -5.015 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.472 local terms energy: -18.672586 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.340 flat angles P-C4'-P energy: -3.057 tors. eta vs tors. theta energy: -0.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -21.273702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.273702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.273702 (E_RNA) where: Base-Base interactions energy: -2.322 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -18.936872 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.765 flat angles P-C4'-P energy: -3.642 tors. eta vs tors. theta energy: 0.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -20.799079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.799079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.799079 (E_RNA) where: Base-Base interactions energy: -4.684 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.082 local terms energy: -16.033408 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.660 flat angles P-C4'-P energy: -2.989 tors. eta vs tors. theta energy: 1.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -20.578819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.578819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.578819 (E_RNA) where: Base-Base interactions energy: -0.693 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.453 local terms energy: -19.432225 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.441 flat angles P-C4'-P energy: -4.129 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: 5, replica: 4 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -19.338760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.338760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.338760 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.338557 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.835 flat angles P-C4'-P energy: -3.656 tors. eta vs tors. theta energy: -1.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -21.154851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.154851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.154851 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.154841 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -4.713 flat angles C4'-P-C4' energy: -4.312 flat angles P-C4'-P energy: -4.175 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: 7, replica: 5 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -19.570113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.570113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.570113 (E_RNA) where: Base-Base interactions energy: -1.919 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -17.646351 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -1.538 flat angles P-C4'-P energy: -4.126 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: 8, replica: 10 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -19.655630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.655630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.655630 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.655588 where: bonds (distance) C4'-P energy: -4.245 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.208 flat angles P-C4'-P energy: -2.152 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: 7 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -21.833111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.833111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.833111 (E_RNA) where: Base-Base interactions energy: -5.571 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -16.258929 where: bonds (distance) C4'-P energy: -2.940 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.594 flat angles P-C4'-P energy: -3.019 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: 10, replica: 6 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -20.698067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.698067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.698067 (E_RNA) where: Base-Base interactions energy: -5.768 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.115 local terms energy: -14.814530 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -4.212 flat angles C4'-P-C4' energy: -3.206 flat angles P-C4'-P energy: -4.066 tors. eta vs tors. theta energy: 0.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -20.858352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.858352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.858352 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -20.840702 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -4.396 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: 2, replica: 3 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -21.114514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.114514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.114514 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.493 local terms energy: -20.621743 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -4.590 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: 3, replica: 8 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -21.021781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.021781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.021781 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.850 local terms energy: -20.171426 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.029 flat angles P-C4'-P energy: -4.265 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: 4, replica: 4 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -22.562121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.562121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.562121 (E_RNA) where: Base-Base interactions energy: -5.006 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.984 local terms energy: -16.571951 where: bonds (distance) C4'-P energy: -4.297 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -5.115 flat angles P-C4'-P energy: -4.115 tors. eta vs tors. theta energy: 2.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -19.972345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.972345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.972345 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -19.963653 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.316 flat angles P-C4'-P energy: -1.989 tors. eta vs tors. theta energy: -2.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -20.003555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.003555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.003555 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.000014 where: bonds (distance) C4'-P energy: -2.745 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -4.095 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: 7, replica: 9 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -22.148775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.148775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.148775 (E_RNA) where: Base-Base interactions energy: -4.110 where: short stacking energy: 0.226 Base-Backbone interact. energy: -0.054 local terms energy: -17.985368 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -3.614 flat angles P-C4'-P energy: -3.642 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: 7 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -21.945572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.945572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.945572 (E_RNA) where: Base-Base interactions energy: -3.886 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.124 local terms energy: -17.935185 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.621 flat angles P-C4'-P energy: -4.476 tors. eta vs tors. theta energy: 2.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -20.333837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.333837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.333837 (E_RNA) where: Base-Base interactions energy: -5.433 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -14.871352 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -3.934 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -2.560 tors. eta vs tors. theta energy: 1.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -19.856100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.856100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.856100 (E_RNA) where: Base-Base interactions energy: -5.463 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.243 local terms energy: -14.150235 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.898 flat angles P-C4'-P energy: -2.654 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: 1, replica: 3 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -23.724841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.724841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.724841 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.724825 where: bonds (distance) C4'-P energy: -5.506 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -4.209 tors. eta vs tors. theta energy: -4.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -24.702851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.702851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.702851 (E_RNA) where: Base-Base interactions energy: -5.618 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.070 local terms energy: -19.015087 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -3.380 flat angles P-C4'-P energy: -4.580 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: 3, replica: 4 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -21.064707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.064707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.064707 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.078 local terms energy: -20.986532 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -4.295 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: 4, replica: 8 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -18.714136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.714136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.714136 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.046 local terms energy: -18.967817 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.544 flat angles P-C4'-P energy: -4.429 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: 5, replica: 5 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -20.242874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.242874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.242874 (E_RNA) where: Base-Base interactions energy: -1.443 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.799368 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -3.930 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: 6, replica: 1 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -18.932155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.932155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.932155 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -18.924383 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -3.845 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: 7 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -21.480002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.480002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.480002 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.479977 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -2.827 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: 8, replica: 9 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -21.130355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.130355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.130355 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.039 local terms energy: -21.091373 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.522 flat angles P-C4'-P energy: -3.410 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: 9, replica: 6 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -18.425716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.425716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.425716 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.056 local terms energy: -18.369933 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -2.944 tors. eta vs tors. theta energy: -0.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -18.313384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.313384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.313384 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.312878 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -4.255 tors. eta vs tors. theta energy: 1.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -21.356131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.356131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.356131 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.355951 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.786 flat angles P-C4'-P energy: -3.254 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: 2, replica: 4 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -20.505313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.505313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.505313 (E_RNA) where: Base-Base interactions energy: -1.731 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.081 local terms energy: -18.693100 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.073 flat angles P-C4'-P energy: -4.177 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: 2 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -22.443824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.443824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.443824 (E_RNA) where: Base-Base interactions energy: -0.204 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -22.239067 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.837 flat angles P-C4'-P energy: -4.420 tors. eta vs tors. theta energy: -2.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -20.461673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.461673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.461673 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.460005 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.181 flat angles P-C4'-P energy: -3.321 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: 5, replica: 8 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -20.814340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.814340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.814340 (E_RNA) where: Base-Base interactions energy: -3.725 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.033 local terms energy: -17.056474 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.355 flat angles P-C4'-P energy: -4.486 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: 6, replica: 7 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -20.819984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.819984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.819984 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.819920 where: bonds (distance) C4'-P energy: -4.571 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -3.423 tors. eta vs tors. theta energy: -2.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -20.189567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.189567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.189567 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.189527 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.899 flat angles P-C4'-P energy: -3.005 tors. eta vs tors. theta energy: -2.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -21.406525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.406525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.406525 (E_RNA) where: Base-Base interactions energy: -3.533 where: short stacking energy: 0.078 Base-Backbone interact. energy: -0.379 local terms energy: -17.494454 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -3.527 flat angles P-C4'-P energy: -2.855 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: 75 Temperature: 1.300000 Total energy: -21.645379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.645379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.645379 (E_RNA) where: Base-Base interactions energy: -1.649 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.996611 where: bonds (distance) C4'-P energy: -3.437 bonds (distance) P-C4' energy: -4.004 flat angles C4'-P-C4' energy: -4.625 flat angles P-C4'-P energy: -4.968 tors. eta vs tors. theta energy: -2.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -19.751739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.751739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.751739 (E_RNA) where: Base-Base interactions energy: -0.520 where: short stacking energy: 0.175 Base-Backbone interact. energy: -1.327 local terms energy: -17.904511 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.689 flat angles P-C4'-P energy: -4.598 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: 1, replica: 4 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -21.802742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.802742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.802742 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.801819 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.557 flat angles P-C4'-P energy: -2.417 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: 2, replica: 3 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -22.410488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.410488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.410488 (E_RNA) where: Base-Base interactions energy: -4.319 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.196 local terms energy: -17.895604 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -5.726 flat angles P-C4'-P energy: -3.438 tors. eta vs tors. theta energy: 1.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -20.829947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.829947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.829947 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -20.818837 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -4.533 tors. eta vs tors. theta energy: -1.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -22.557285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.557285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.557285 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.557043 where: bonds (distance) C4'-P energy: -5.097 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -4.190 tors. eta vs tors. theta energy: -2.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -20.505662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.505662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.505662 (E_RNA) where: Base-Base interactions energy: -1.805 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.062 local terms energy: -18.638694 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -2.549 tors. eta vs tors. theta energy: 0.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -19.566609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.566609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.566609 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -19.556907 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.774 flat angles P-C4'-P energy: -3.599 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: 7, replica: 6 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -20.718944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.718944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.718944 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.715207 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.798 flat angles P-C4'-P energy: -4.160 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: 1 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -20.541693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.541693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.541693 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.541688 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -1.971 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: 10 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -20.341763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.341763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.341763 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.341669 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.887 flat angles P-C4'-P energy: -4.465 tors. eta vs tors. theta energy: -1.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -19.008295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.008295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.008295 (E_RNA) where: Base-Base interactions energy: 0.006 where: short stacking energy: 0.006 Base-Backbone interact. energy: -0.007 local terms energy: -19.007427 where: bonds (distance) C4'-P energy: -3.814 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.926 flat angles P-C4'-P energy: -3.407 tors. eta vs tors. theta energy: -0.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -23.029654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.029654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.029654 (E_RNA) where: Base-Base interactions energy: 0.515 where: short stacking energy: 0.515 Base-Backbone interact. energy: -0.000 local terms energy: -23.544469 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.451 flat angles P-C4'-P energy: -2.658 tors. eta vs tors. theta energy: -5.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -23.322029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.322029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.322029 (E_RNA) where: Base-Base interactions energy: -1.088 where: short stacking energy: 0.096 Base-Backbone interact. energy: -0.000 local terms energy: -22.233577 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.005 flat angles P-C4'-P energy: -3.176 tors. eta vs tors. theta energy: -3.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -21.477522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.477522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.477522 (E_RNA) where: Base-Base interactions energy: 0.024 where: short stacking energy: 0.024 Base-Backbone interact. energy: -0.000 local terms energy: -21.501545 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -3.588 tors. eta vs tors. theta energy: -1.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -20.737811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.737811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.737811 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.166 local terms energy: -20.572054 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -4.243 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: 5, replica: 2 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -21.439294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.439294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.439294 (E_RNA) where: Base-Base interactions energy: -5.438 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.063 local terms energy: -15.938442 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.621 flat angles P-C4'-P energy: -3.812 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: 6, replica: 6 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -19.761793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.761793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.761793 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.046 local terms energy: -19.716097 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.625 flat angles P-C4'-P energy: -4.487 tors. eta vs tors. theta energy: 0.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -20.242547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.242547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.242547 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.242526 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.523 flat angles P-C4'-P energy: -4.656 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: 8, replica: 10 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -20.306082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.306082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.306082 (E_RNA) where: Base-Base interactions energy: -5.072 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -15.136292 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -2.237 flat angles P-C4'-P energy: -3.901 tors. eta vs tors. theta energy: 2.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -17.746584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.746584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.746584 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -17.650668 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.401 flat angles P-C4'-P energy: -4.148 tors. eta vs tors. theta energy: 1.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -19.174475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.174475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.174475 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -19.113526 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.377 flat angles P-C4'-P energy: -2.642 tors. eta vs tors. theta energy: 0.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -22.514907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.514907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.514907 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.514764 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.286 flat angles P-C4'-P energy: -3.813 tors. eta vs tors. theta energy: -3.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -22.751854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.751854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.751854 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -22.750353 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -4.113 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: 78 Temperature: 1.000000 Total energy: -21.513719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.513719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.513719 (E_RNA) where: Base-Base interactions energy: 0.304 where: short stacking energy: 0.304 Base-Backbone interact. energy: -0.000 local terms energy: -21.817763 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -4.748 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: 4, replica: 3 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -21.053942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.053942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.053942 (E_RNA) where: Base-Base interactions energy: -3.919 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.151 local terms energy: -16.983448 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.139 flat angles P-C4'-P energy: -4.195 tors. eta vs tors. theta energy: 2.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -20.304468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.304468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.304468 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.304383 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -3.575 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: 6, replica: 2 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -20.435550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.435550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.435550 (E_RNA) where: Base-Base interactions energy: -5.230 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.221 local terms energy: -14.984354 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.511 flat angles P-C4'-P energy: -2.506 tors. eta vs tors. theta energy: 2.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -19.961389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.961389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.961389 (E_RNA) where: Base-Base interactions energy: -5.605 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.078 local terms energy: -14.279195 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.004 flat angles P-C4'-P energy: -1.778 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: 8 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -25.226723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.226723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.226723 (E_RNA) where: Base-Base interactions energy: -2.261 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.777 local terms energy: -22.188564 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -3.382 tors. eta vs tors. theta energy: -1.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -22.547575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.547575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.547575 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.547564 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.880 flat angles P-C4'-P energy: -4.779 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: 1 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -18.881387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.881387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.881387 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.055 local terms energy: -18.926737 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.350 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -0.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -21.419290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.419290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.419290 (E_RNA) where: Base-Base interactions energy: -2.109 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.057 local terms energy: -19.253499 where: bonds (distance) C4'-P energy: -4.919 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -4.139 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: 2, replica: 7 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -22.542724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.542724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.542724 (E_RNA) where: Base-Base interactions energy: -4.591 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.089 local terms energy: -17.862720 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -3.730 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: 3, replica: 5 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -20.983202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.983202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.983202 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -20.973077 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.470 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: -2.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -21.756505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.756505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.756505 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.756500 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.840 flat angles P-C4'-P energy: -4.806 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: 5, replica: 3 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -20.090943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.090943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.090943 (E_RNA) where: Base-Base interactions energy: 0.330 where: short stacking energy: 0.330 Base-Backbone interact. energy: -0.002 local terms energy: -20.418638 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.339 flat angles P-C4'-P energy: -2.141 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: 6, replica: 10 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -23.889045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.889045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.889045 (E_RNA) where: Base-Base interactions energy: -5.238 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.440 local terms energy: -18.211131 where: bonds (distance) C4'-P energy: -2.957 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.292 flat angles P-C4'-P energy: -2.403 tors. eta vs tors. theta energy: -2.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -20.833832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.833832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.833832 (E_RNA) where: Base-Base interactions energy: -2.598 where: short stacking energy: 0.000 Base-Backbone interact. energy: 1.551 local terms energy: -19.787519 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.885 flat angles P-C4'-P energy: -3.938 tors. eta vs tors. theta energy: 0.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -21.193288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.193288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.193288 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.046 local terms energy: -21.147572 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.975 flat angles P-C4'-P energy: -4.275 tors. eta vs tors. theta energy: -0.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -19.406740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.406740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.406740 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.033 local terms energy: -19.374128 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -3.634 tors. eta vs tors. theta energy: -0.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -21.268621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.268621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.268621 (E_RNA) where: Base-Base interactions energy: -4.953 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.576 local terms energy: -16.891037 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -3.722 flat angles P-C4'-P energy: -4.189 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: 1, replica: 7 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -22.419149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.419149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.419149 (E_RNA) where: Base-Base interactions energy: -1.177 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.101 local terms energy: -21.141631 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -4.256 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: 2, replica: 4 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -21.187599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.187599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.187599 (E_RNA) where: Base-Base interactions energy: 0.557 where: short stacking energy: 0.557 Base-Backbone interact. energy: -0.002 local terms energy: -21.742823 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -4.657 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -2.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -23.467440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.467440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.467440 (E_RNA) where: Base-Base interactions energy: -1.757 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -21.705672 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.917 flat angles P-C4'-P energy: -2.523 tors. eta vs tors. theta energy: -4.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -22.321372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.321372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.321372 (E_RNA) where: Base-Base interactions energy: -5.737 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.318 local terms energy: -16.902153 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.115 flat angles P-C4'-P energy: -4.218 tors. eta vs tors. theta energy: 2.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -21.869440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.869440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.869440 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.826 local terms energy: -21.043795 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -4.216 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: 3 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -19.341886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.341886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.341886 (E_RNA) where: Base-Base interactions energy: 0.547 where: short stacking energy: 0.547 Base-Backbone interact. energy: -0.070 local terms energy: -19.819482 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.574 flat angles C4'-P-C4' energy: -4.732 flat angles P-C4'-P energy: -2.800 tors. eta vs tors. theta energy: -2.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -20.220652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.220652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.220652 (E_RNA) where: Base-Base interactions energy: -3.561 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.255 local terms energy: -16.404887 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.990 flat angles P-C4'-P energy: -1.962 tors. eta vs tors. theta energy: 1.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -20.425076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.425076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.425076 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.425072 where: bonds (distance) C4'-P energy: -3.934 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -1.917 flat angles P-C4'-P energy: -4.503 tors. eta vs tors. theta energy: -4.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -18.857451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.857451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.857451 (E_RNA) where: Base-Base interactions energy: -2.574 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.877 local terms energy: -15.406226 where: bonds (distance) C4'-P energy: -2.402 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.831 flat angles P-C4'-P energy: -2.562 tors. eta vs tors. theta energy: -0.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -20.795692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.795692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.795692 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.060 local terms energy: -20.735909 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.255 flat angles P-C4'-P energy: -3.593 tors. eta vs tors. theta energy: -1.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -20.965010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.965010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.965010 (E_RNA) where: Base-Base interactions energy: -5.097 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.323 local terms energy: -16.191747 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.781 flat angles P-C4'-P energy: -3.445 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: 2, replica: 6 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -20.864171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.864171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.864171 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.862613 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -4.580 tors. eta vs tors. theta energy: -1.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -21.528372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.528372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.528372 (E_RNA) where: Base-Base interactions energy: -4.315 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -17.201997 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.724 flat angles P-C4'-P energy: -3.873 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: 4, replica: 10 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -20.657885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.657885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.657885 (E_RNA) where: Base-Base interactions energy: -2.742 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.256 local terms energy: -17.659767 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -3.465 flat angles P-C4'-P energy: -3.829 tors. eta vs tors. theta energy: 0.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -19.759287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.759287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.759287 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.757499 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.332 flat angles P-C4'-P energy: -3.323 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: 6, replica: 9 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -20.311204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.311204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.311204 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.304707 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.526 flat angles P-C4'-P energy: -3.690 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: 7, replica: 3 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -21.343874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.343874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.343874 (E_RNA) where: Base-Base interactions energy: -4.361 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.289 local terms energy: -16.693759 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -3.726 tors. eta vs tors. theta energy: 2.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -20.237566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.237566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.237566 (E_RNA) where: Base-Base interactions energy: -3.774 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -16.460710 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.079 flat angles P-C4'-P energy: -1.914 tors. eta vs tors. theta energy: -0.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -19.047932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.047932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.047932 (E_RNA) where: Base-Base interactions energy: -1.435 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.102 local terms energy: -17.510655 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -3.503 flat angles C4'-P-C4' energy: -5.112 flat angles P-C4'-P energy: -4.952 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: 8 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -19.297705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.297705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.297705 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.215 local terms energy: -19.082271 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.675 flat angles P-C4'-P energy: -4.231 tors. eta vs tors. theta energy: -0.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -21.047467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.047467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.047467 (E_RNA) where: Base-Base interactions energy: -1.455 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.973 local terms energy: -18.618661 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.739 flat angles P-C4'-P energy: -3.913 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: 7 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -22.031417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.031417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.031417 (E_RNA) where: Base-Base interactions energy: -2.602 where: short stacking energy: 0.054 Base-Backbone interact. energy: -0.001 local terms energy: -19.428892 where: bonds (distance) C4'-P energy: -5.283 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -0.479 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: 3, replica: 10 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -20.516614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.516614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.516614 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -20.502292 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.974 flat angles P-C4'-P energy: -4.434 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: 4, replica: 4 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -20.467042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.467042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.467042 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.466907 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.236 flat angles P-C4'-P energy: -4.609 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: 5, replica: 9 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -20.801321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.801321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.801321 (E_RNA) where: Base-Base interactions energy: 0.130 where: short stacking energy: 0.130 Base-Backbone interact. energy: -0.010 local terms energy: -20.921385 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -4.053 flat angles P-C4'-P energy: -4.583 tors. eta vs tors. theta energy: -1.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -20.846034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.846034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.846034 (E_RNA) where: Base-Base interactions energy: -1.640 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.465 local terms energy: -18.741056 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.920 flat angles P-C4'-P energy: -4.575 tors. eta vs tors. theta energy: 1.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -20.327600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.327600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.327600 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.040 local terms energy: -20.287862 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -4.656 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: 3 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -20.414394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.414394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.414394 (E_RNA) where: Base-Base interactions energy: -2.231 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -18.160915 where: bonds (distance) C4'-P energy: -3.598 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -3.467 tors. eta vs tors. theta energy: -1.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -21.689254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.689254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.689254 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -21.683724 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.762 flat angles P-C4'-P energy: -4.675 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: 10, replica: 2 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -18.991590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.991590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.991590 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.991581 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -2.556 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: 1, replica: 6 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -22.036695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.036695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.036695 (E_RNA) where: Base-Base interactions energy: -7.169 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.153 local terms energy: -14.714709 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.214 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: 2.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -20.974717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.974717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.974717 (E_RNA) where: Base-Base interactions energy: -2.085 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.889082 where: bonds (distance) C4'-P energy: -2.882 bonds (distance) P-C4' energy: -4.418 flat angles C4'-P-C4' energy: -4.011 flat angles P-C4'-P energy: -4.483 tors. eta vs tors. theta energy: -3.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -20.679675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.679675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.679675 (E_RNA) where: Base-Base interactions energy: 1.417 where: short stacking energy: 1.417 Base-Backbone interact. energy: -0.000 local terms energy: -22.097070 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.617 flat angles P-C4'-P energy: -3.599 tors. eta vs tors. theta energy: -2.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -20.424765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.424765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.424765 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.168 local terms energy: -20.592891 where: bonds (distance) C4'-P energy: -3.607 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.475 flat angles P-C4'-P energy: -4.891 tors. eta vs tors. theta energy: -0.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -20.125762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.125762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.125762 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.125759 where: bonds (distance) C4'-P energy: -5.420 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -5.010 flat angles P-C4'-P energy: -3.678 tors. eta vs tors. theta energy: -1.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -20.169750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.169750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.169750 (E_RNA) where: Base-Base interactions energy: 0.203 where: short stacking energy: 0.203 Base-Backbone interact. energy: -0.091 local terms energy: -20.281624 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -3.705 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: 7, replica: 5 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -20.902529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.902529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.902529 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -20.872730 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.184 flat angles P-C4'-P energy: -4.408 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: 8, replica: 8 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -20.289506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.289506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.289506 (E_RNA) where: Base-Base interactions energy: -7.202 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.188 local terms energy: -12.899423 where: bonds (distance) C4'-P energy: -0.550 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -3.707 tors. eta vs tors. theta energy: 3.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -19.182020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.182020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.182020 (E_RNA) where: Base-Base interactions energy: 0.740 where: short stacking energy: 0.740 Base-Backbone interact. energy: -0.048 local terms energy: -19.873984 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.439 flat angles P-C4'-P energy: -3.444 tors. eta vs tors. theta energy: -0.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -20.740327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.740327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.740327 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.101 local terms energy: -20.639418 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.670 flat angles P-C4'-P energy: -3.182 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: 1, replica: 10 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -22.219495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.219495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.219495 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.042 local terms energy: -22.177837 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.496 flat angles P-C4'-P energy: -4.748 tors. eta vs tors. theta energy: -2.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -22.332146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.332146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.332146 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -22.330019 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -2.083 flat angles P-C4'-P energy: -4.789 tors. eta vs tors. theta energy: -3.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -21.478987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.478987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.478987 (E_RNA) where: Base-Base interactions energy: -4.592 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -16.786951 where: bonds (distance) C4'-P energy: -3.747 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.080 flat angles P-C4'-P energy: -2.625 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: 84 Temperature: 1.050000 Total energy: -21.876756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.876756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.876756 (E_RNA) where: Base-Base interactions energy: -1.243 where: short stacking energy: 0.067 Base-Backbone interact. energy: -0.001 local terms energy: -20.633159 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.453 flat angles P-C4'-P energy: -4.184 tors. eta vs tors. theta energy: -0.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -20.733335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.733335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.733335 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -20.713104 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.830 flat angles P-C4'-P energy: -3.487 tors. eta vs tors. theta energy: -0.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -20.103411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.103411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.103411 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -20.085654 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.329 flat angles P-C4'-P energy: -4.094 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: 7, replica: 8 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -20.519880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.519880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.519880 (E_RNA) where: Base-Base interactions energy: -5.679 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -14.742156 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -1.500 flat angles P-C4'-P energy: -4.044 tors. eta vs tors. theta energy: 1.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -19.227799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.227799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.227799 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.077 local terms energy: -19.150685 where: bonds (distance) C4'-P energy: -2.940 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -4.087 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: 9, replica: 2 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -19.812350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.812350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.812350 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.811841 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.840 flat angles P-C4'-P energy: -3.319 tors. eta vs tors. theta energy: -1.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -19.704570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.704570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.704570 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -19.645240 where: bonds (distance) C4'-P energy: -4.277 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: -2.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -21.176268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.176268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.176268 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.458 local terms energy: -20.718742 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.383 flat angles P-C4'-P energy: -3.484 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: 2, replica: 4 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -23.533055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.533055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.533055 (E_RNA) where: Base-Base interactions energy: -5.502 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -18.013056 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.556 flat angles P-C4'-P energy: -4.675 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: 3, replica: 6 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -22.463246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.463246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.463246 (E_RNA) where: Base-Base interactions energy: -4.242 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.050 local terms energy: -18.171244 where: bonds (distance) C4'-P energy: -3.830 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.297 flat angles P-C4'-P energy: -3.913 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: 4, replica: 1 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -20.529018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.529018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.529018 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -20.437132 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.728 flat angles P-C4'-P energy: -4.553 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: 5, replica: 7 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -20.537394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.537394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.537394 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.535382 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.459 flat angles P-C4'-P energy: -3.745 tors. eta vs tors. theta energy: -1.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -19.591840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.591840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.591840 (E_RNA) where: Base-Base interactions energy: -0.567 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.284 local terms energy: -18.741647 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.478 flat angles P-C4'-P energy: -4.371 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: 7, replica: 9 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -20.574224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.574224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.574224 (E_RNA) where: Base-Base interactions energy: -3.299 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.156 local terms energy: -17.118738 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -3.556 flat angles P-C4'-P energy: -3.639 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: 8, replica: 2 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -20.899992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.899992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.899992 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.896953 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -3.168 flat angles P-C4'-P energy: -3.585 tors. eta vs tors. theta energy: -4.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -20.474609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.474609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.474609 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -20.375021 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.029 flat angles P-C4'-P energy: -4.260 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: 3 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -18.408090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.408090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.408090 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.078 local terms energy: -18.330018 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.456 flat angles P-C4'-P energy: -3.371 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: 1, replica: 4 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -23.214302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.214302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.214302 (E_RNA) where: Base-Base interactions energy: -4.944 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.154 local terms energy: -18.115847 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -3.539 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: 2, replica: 10 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -20.315834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.315834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.315834 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.309505 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -4.287 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: 3, replica: 1 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -22.761079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.761079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.761079 (E_RNA) where: Base-Base interactions energy: 0.024 where: short stacking energy: 0.024 Base-Backbone interact. energy: -0.062 local terms energy: -22.723337 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -3.527 tors. eta vs tors. theta energy: -2.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -22.464435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.464435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.464435 (E_RNA) where: Base-Base interactions energy: -3.475 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -18.972160 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.081 flat angles P-C4'-P energy: -4.534 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: 8 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -20.930214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.930214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.930214 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.985 local terms energy: -19.945460 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -3.828 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: 6, replica: 7 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -21.015151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.015151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.015151 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.015069 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.874 flat angles P-C4'-P energy: -4.210 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: 7, replica: 2 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -20.898753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.898753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.898753 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -20.814945 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -3.736 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: 8, replica: 9 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -19.269164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.269164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.269164 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.264488 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -3.225 flat angles P-C4'-P energy: -3.826 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: 9, replica: 3 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -20.820561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.820561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.820561 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.820347 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -3.661 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: 10, replica: 5 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -18.879334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.879334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.879334 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.879327 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.112 flat angles P-C4'-P energy: -2.927 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: 1, replica: 4 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -23.224677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.224677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.224677 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.224669 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -4.232 tors. eta vs tors. theta energy: -3.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -22.963997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.963997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.963997 (E_RNA) where: Base-Base interactions energy: -1.593 where: short stacking energy: 0.187 Base-Backbone interact. energy: -0.001 local terms energy: -21.370872 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.725 flat angles P-C4'-P energy: -1.648 tors. eta vs tors. theta energy: -3.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -20.969246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.969246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.969246 (E_RNA) where: Base-Base interactions energy: -5.563 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.071 local terms energy: -15.335314 where: bonds (distance) C4'-P energy: -3.756 bonds (distance) P-C4' energy: -5.209 flat angles C4'-P-C4' energy: -4.815 flat angles P-C4'-P energy: -3.675 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: 4, replica: 6 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -22.928184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.928184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.928184 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.927994 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.519 flat angles P-C4'-P energy: -3.882 tors. eta vs tors. theta energy: -3.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -22.171488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.171488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.171488 (E_RNA) where: Base-Base interactions energy: -4.441 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.341 local terms energy: -17.389448 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.636 flat angles P-C4'-P energy: -3.307 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: 6, replica: 2 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -19.259434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.259434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.259434 (E_RNA) where: Base-Base interactions energy: -2.346 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.427 local terms energy: -16.485506 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.686 flat angles P-C4'-P energy: -1.882 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: 7, replica: 7 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -19.881714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.881714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.881714 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -19.850523 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -4.200 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: 8, replica: 3 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -20.112336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.112336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.112336 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.446 local terms energy: -20.558679 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -4.458 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: 9, replica: 9 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -19.660686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.660686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.660686 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.131 local terms energy: -19.529487 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.554 flat angles P-C4'-P energy: -3.790 tors. eta vs tors. theta energy: 0.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -18.617735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.617735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.617735 (E_RNA) where: Base-Base interactions energy: 0.234 where: short stacking energy: 0.234 Base-Backbone interact. energy: -0.266 local terms energy: -18.585455 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.881 flat angles P-C4'-P energy: -3.089 tors. eta vs tors. theta energy: -0.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -23.224536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.224536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.224536 (E_RNA) where: Base-Base interactions energy: -4.078 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.146975 where: bonds (distance) C4'-P energy: -2.878 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.695 flat angles P-C4'-P energy: -3.855 tors. eta vs tors. theta energy: -0.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -20.030184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.030184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.030184 (E_RNA) where: Base-Base interactions energy: -3.001 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.052 local terms energy: -16.977412 where: bonds (distance) C4'-P energy: -4.654 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -2.574 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: 3, replica: 6 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -20.999787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.999787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.999787 (E_RNA) where: Base-Base interactions energy: -3.321 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -17.578560 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -5.139 flat angles P-C4'-P energy: -3.777 tors. eta vs tors. theta energy: 1.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -21.772089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.772089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.772089 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.772078 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.549 flat angles P-C4'-P energy: -4.258 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: 5, replica: 2 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -20.731932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.731932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.731932 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.464 local terms energy: -20.268420 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -3.672 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: 6, replica: 8 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -18.250653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.250653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.250653 (E_RNA) where: Base-Base interactions energy: 0.018 where: short stacking energy: 0.018 Base-Backbone interact. energy: -0.181 local terms energy: -18.087666 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -4.546 flat angles P-C4'-P energy: -3.834 tors. eta vs tors. theta energy: 0.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -19.815481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.815481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.815481 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.815481 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -0.491 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: 8, replica: 7 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -20.920926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.920926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.920926 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.920869 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -2.842 flat angles P-C4'-P energy: -3.808 tors. eta vs tors. theta energy: -3.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -19.398733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.398733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.398733 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.107 local terms energy: -18.291597 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -2.882 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: 10, replica: 9 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -19.188965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.188965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.188965 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.122 local terms energy: -19.067209 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -3.802 tors. eta vs tors. theta energy: -0.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -23.149079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.149079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.149079 (E_RNA) where: Base-Base interactions energy: -5.071 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.026 local terms energy: -18.052388 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.973 flat angles P-C4'-P energy: -3.011 tors. eta vs tors. theta energy: 0.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -21.438734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.438734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.438734 (E_RNA) where: Base-Base interactions energy: -1.779 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.659910 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.994 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -3.883 tors. eta vs tors. theta energy: -0.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -21.537620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.537620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.537620 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -21.528652 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.366 flat angles P-C4'-P energy: -3.356 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: 4, replica: 2 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -23.360281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.360281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.360281 (E_RNA) where: Base-Base interactions energy: -5.121 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.072 local terms energy: -18.166692 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.618 flat angles C4'-P-C4' energy: -4.499 flat angles P-C4'-P energy: -3.252 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: 5, replica: 10 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -21.760244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.760244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.760244 (E_RNA) where: Base-Base interactions energy: -2.776 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.148 local terms energy: -19.131864 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.657 flat angles P-C4'-P energy: -4.105 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: 6, replica: 3 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -20.231431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.231431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.231431 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.229733 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.349 flat angles P-C4'-P energy: -4.223 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: 7, replica: 8 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -20.849881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.849881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.849881 (E_RNA) where: Base-Base interactions energy: 0.350 where: short stacking energy: 0.350 Base-Backbone interact. energy: -0.001 local terms energy: -21.198957 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -4.760 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: 5 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -19.967629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.967629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.967629 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.109 local terms energy: -19.858414 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -3.988 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: 9, replica: 7 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -19.806208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.806208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.806208 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.805698 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.830 flat angles P-C4'-P energy: -3.788 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: 9 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -18.881626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.881626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.881626 (E_RNA) where: Base-Base interactions energy: -0.149 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.139 local terms energy: -18.593715 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -4.235 tors. eta vs tors. theta energy: 1.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -22.084675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.084675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.084675 (E_RNA) where: Base-Base interactions energy: -1.896 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.021 local terms energy: -20.209610 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.059 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: 0.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -23.801231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.801231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.801231 (E_RNA) where: Base-Base interactions energy: -4.760 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.088 local terms energy: -18.953201 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.216 flat angles P-C4'-P energy: -4.072 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: 3, replica: 1 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -24.419036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.419036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.419036 (E_RNA) where: Base-Base interactions energy: -2.799 where: short stacking energy: 0.317 Base-Backbone interact. energy: -0.002 local terms energy: -21.618033 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.692 flat angles P-C4'-P energy: -3.478 tors. eta vs tors. theta energy: -3.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -20.287603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.287603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.287603 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.225 local terms energy: -20.062404 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.853 flat angles P-C4'-P energy: -4.908 tors. eta vs tors. theta energy: 0.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -23.869722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.869722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.869722 (E_RNA) where: Base-Base interactions energy: -8.634 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.128 local terms energy: -15.108129 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -1.947 flat angles P-C4'-P energy: -4.240 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: 10 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -19.546806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.546806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.546806 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.546805 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -4.943 flat angles P-C4'-P energy: -3.818 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: 7, replica: 8 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -19.366342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.366342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.366342 (E_RNA) where: Base-Base interactions energy: 0.287 where: short stacking energy: 0.069 Base-Backbone interact. energy: -0.072 local terms energy: -19.581072 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.725 flat angles P-C4'-P energy: -4.067 tors. eta vs tors. theta energy: 0.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -19.215006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.215006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.215006 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.078 local terms energy: -19.136687 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -4.255 flat angles C4'-P-C4' energy: -4.168 flat angles P-C4'-P energy: -3.156 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: 9, replica: 9 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -20.117526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.117526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.117526 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -20.023952 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -3.627 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: 10, replica: 7 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -19.549842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.549842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.549842 (E_RNA) where: Base-Base interactions energy: -4.221 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.085 local terms energy: -15.243317 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.134 flat angles P-C4'-P energy: -1.391 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: 1, replica: 6 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -22.709823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.709823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.709823 (E_RNA) where: Base-Base interactions energy: -0.085 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.005 local terms energy: -22.619058 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.837 flat angles P-C4'-P energy: -3.629 tors. eta vs tors. theta energy: -3.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -20.856558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.856558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.856558 (E_RNA) where: Base-Base interactions energy: -0.780 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.076653 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.589 flat angles P-C4'-P energy: -2.451 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: 3, replica: 4 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -20.937404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.937404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.937404 (E_RNA) where: Base-Base interactions energy: -5.412 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -15.433178 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.608 flat angles P-C4'-P energy: -3.740 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: 4, replica: 3 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -19.841810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.841810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.841810 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.974 local terms energy: -18.868010 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.011 flat angles P-C4'-P energy: -4.104 tors. eta vs tors. theta energy: 0.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -20.477419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.477419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.477419 (E_RNA) where: Base-Base interactions energy: -0.291 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.083 local terms energy: -20.103905 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.382 flat angles P-C4'-P energy: -4.165 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: 8 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -18.619151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.619151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.619151 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.085 local terms energy: -18.533883 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.180 flat angles P-C4'-P energy: -3.121 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: 7, replica: 10 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -19.407316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.407316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.407316 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -19.377245 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.558 flat angles P-C4'-P energy: -3.259 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: 8, replica: 9 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -19.047883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.047883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.047883 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.047853 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -4.102 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: 9, replica: 5 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -19.846962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.846962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.846962 (E_RNA) where: Base-Base interactions energy: -5.179 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.050 local terms energy: -14.618159 where: bonds (distance) C4'-P energy: -3.809 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.779 flat angles P-C4'-P energy: -2.701 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: 7 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -17.779140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.779140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.779140 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.129 local terms energy: -17.650366 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.369 flat angles P-C4'-P energy: -2.743 tors. eta vs tors. theta energy: 0.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -21.523416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.523416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.523416 (E_RNA) where: Base-Base interactions energy: -2.739 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -18.756353 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.204 flat angles P-C4'-P energy: -3.138 tors. eta vs tors. theta energy: -0.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -21.600862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.600862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.600862 (E_RNA) where: Base-Base interactions energy: -4.694 where: short stacking energy: 0.052 Base-Backbone interact. energy: -0.007 local terms energy: -16.899786 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.230 flat angles P-C4'-P energy: -2.544 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: 3 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -21.534494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.534494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.534494 (E_RNA) where: Base-Base interactions energy: -1.117 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.388 local terms energy: -20.029600 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -4.257 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: 4, replica: 4 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -20.305978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.305978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.305978 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -20.297262 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.950 flat angles P-C4'-P energy: -4.361 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: 92 Temperature: 1.100000 Total energy: -20.461650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.461650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.461650 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -20.452956 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -3.100 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: 2 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -20.544627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.544627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.544627 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.137 local terms energy: -20.407924 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.809 flat angles P-C4'-P energy: -3.925 tors. eta vs tors. theta energy: -1.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -21.453222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.453222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.453222 (E_RNA) where: Base-Base interactions energy: -5.225 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -16.198308 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -4.449 flat angles P-C4'-P energy: -3.098 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: 8, replica: 10 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -20.311150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.311150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.311150 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.311136 where: bonds (distance) C4'-P energy: -3.002 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -3.825 tors. eta vs tors. theta energy: -3.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -20.317800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.317800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.317800 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.317151 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.428 flat angles P-C4'-P energy: -3.298 tors. eta vs tors. theta energy: -4.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -18.889952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.889952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.889952 (E_RNA) where: Base-Base interactions energy: 0.930 where: short stacking energy: 0.930 Base-Backbone interact. energy: -0.000 local terms energy: -19.819107 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.978 flat angles P-C4'-P energy: -3.995 tors. eta vs tors. theta energy: -0.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -23.531899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.531899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.531899 (E_RNA) where: Base-Base interactions energy: -5.626 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.073 local terms energy: -17.832578 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -3.590 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: 2, replica: 3 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -20.516172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.516172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.516172 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.512999 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.043 flat angles P-C4'-P energy: -3.948 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: 3, replica: 6 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -22.619035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.619035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.619035 (E_RNA) where: Base-Base interactions energy: -5.558 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.199 local terms energy: -16.861312 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.199 flat angles P-C4'-P energy: -3.933 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: 4, replica: 8 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -20.021606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.021606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.021606 (E_RNA) where: Base-Base interactions energy: -2.575 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.072 local terms energy: -17.374506 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.757 flat angles P-C4'-P energy: -3.008 tors. eta vs tors. theta energy: 0.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -19.838595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.838595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.838595 (E_RNA) where: Base-Base interactions energy: -0.727 where: short stacking energy: 0.119 Base-Backbone interact. energy: -0.006 local terms energy: -19.105233 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -3.114 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: 6, replica: 9 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -19.432768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.432768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.432768 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.039 local terms energy: -19.393394 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.050 flat angles P-C4'-P energy: -3.003 tors. eta vs tors. theta energy: -0.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -19.787352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.787352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.787352 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -19.752339 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -4.238 flat angles P-C4'-P energy: -3.954 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: 8, replica: 7 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -21.526727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.526727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.526727 (E_RNA) where: Base-Base interactions energy: -3.311 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.772 local terms energy: -17.443993 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.512 flat angles P-C4'-P energy: -3.868 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: 9, replica: 10 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -19.603048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.603048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.603048 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.603047 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.323 flat angles P-C4'-P energy: -3.487 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: 10, replica: 5 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -20.354916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.354916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.354916 (E_RNA) where: Base-Base interactions energy: -5.619 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.060 local terms energy: -14.676193 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -1.685 flat angles P-C4'-P energy: -4.779 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: 3 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -22.867042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.867042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.867042 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.866816 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -4.073 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: 2, replica: 1 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -22.171535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.171535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.171535 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.171534 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.300 flat angles P-C4'-P energy: -4.493 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: 3, replica: 8 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -23.084486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.084486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.084486 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -23.076264 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -4.132 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: 6 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -20.602459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.602459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.602459 (E_RNA) where: Base-Base interactions energy: -0.441 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.162 local terms energy: -20.000230 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -3.556 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: 5, replica: 9 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -22.267902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.267902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.267902 (E_RNA) where: Base-Base interactions energy: -1.542 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.071 local terms energy: -20.654737 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.891 flat angles P-C4'-P energy: -3.416 tors. eta vs tors. theta energy: -1.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -20.798257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.798257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.798257 (E_RNA) where: Base-Base interactions energy: -2.667 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -18.126909 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.483 flat angles P-C4'-P energy: -4.292 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: 7, replica: 7 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -22.865692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.865692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.865692 (E_RNA) where: Base-Base interactions energy: -4.042 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.068 local terms energy: -18.755487 where: bonds (distance) C4'-P energy: -3.607 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -4.723 tors. eta vs tors. theta energy: 0.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -19.954123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.954123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.954123 (E_RNA) where: Base-Base interactions energy: -0.825 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.356 local terms energy: -18.772866 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -5.065 flat angles P-C4'-P energy: -3.171 tors. eta vs tors. theta energy: -0.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -19.867066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.867066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.867066 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.394 local terms energy: -19.473059 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -1.925 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: -3.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -21.472855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.472855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.472855 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.472677 where: bonds (distance) C4'-P energy: -4.053 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -3.981 tors. eta vs tors. theta energy: -1.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -20.623618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.623618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.623618 (E_RNA) where: Base-Base interactions energy: -0.671 where: short stacking energy: 0.678 Base-Backbone interact. energy: -0.907 local terms energy: -19.045438 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -4.274 tors. eta vs tors. theta energy: 0.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -24.701819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.701819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.701819 (E_RNA) where: Base-Base interactions energy: -5.999 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -18.691271 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -3.291 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: 3, replica: 1 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -21.084778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.084778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.084778 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -21.054111 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.125 flat angles P-C4'-P energy: -4.553 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: 4, replica: 9 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -21.258479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.258479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.258479 (E_RNA) where: Base-Base interactions energy: -5.118 where: short stacking energy: 0.126 Base-Backbone interact. energy: -0.097 local terms energy: -16.042957 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -4.381 flat angles C4'-P-C4' energy: -3.322 flat angles P-C4'-P energy: -1.782 tors. eta vs tors. theta energy: -2.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -22.921062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.921062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.921062 (E_RNA) where: Base-Base interactions energy: -5.787 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.145 local terms energy: -16.989366 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -3.007 tors. eta vs tors. theta energy: 1.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -21.646253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.646253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.646253 (E_RNA) where: Base-Base interactions energy: 0.766 where: short stacking energy: 0.766 Base-Backbone interact. energy: -0.029 local terms energy: -22.382756 where: bonds (distance) C4'-P energy: -4.832 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.933 flat angles P-C4'-P energy: -3.547 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: 7, replica: 4 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -20.065012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.065012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.065012 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.064585 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -4.298 tors. eta vs tors. theta energy: -0.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -20.555456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.555456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.555456 (E_RNA) where: Base-Base interactions energy: -4.606 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.206 local terms energy: -15.742652 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -2.170 tors. eta vs tors. theta energy: 2.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -20.782096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.782096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.782096 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.780514 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -4.776 flat angles C4'-P-C4' energy: -5.455 flat angles P-C4'-P energy: -3.671 tors. eta vs tors. theta energy: -2.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -18.692824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.692824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.692824 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.135 local terms energy: -18.558142 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -2.594 tors. eta vs tors. theta energy: -1.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -21.946122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.946122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.946122 (E_RNA) where: Base-Base interactions energy: -5.705 where: short stacking energy: 0.900 Base-Backbone interact. energy: -0.097 local terms energy: -16.143256 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: 3.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -20.591550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.591550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.591550 (E_RNA) where: Base-Base interactions energy: -4.085 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.220 local terms energy: -16.726951 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -2.836 flat angles C4'-P-C4' energy: -5.430 flat angles P-C4'-P energy: -4.128 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: 3, replica: 9 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -21.236000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.236000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.236000 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.235751 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -2.991 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: 4, replica: 1 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -19.017787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.017787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.017787 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.017708 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.982 flat angles P-C4'-P energy: -3.629 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: 7 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -22.391985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.391985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.391985 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.391970 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.990 flat angles P-C4'-P energy: -3.669 tors. eta vs tors. theta energy: -2.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -20.182752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.182752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.182752 (E_RNA) where: Base-Base interactions energy: -2.690 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -17.492362 where: bonds (distance) C4'-P energy: -3.508 bonds (distance) P-C4' energy: -4.314 flat angles C4'-P-C4' energy: -2.980 flat angles P-C4'-P energy: -4.893 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: 7, replica: 5 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -19.683443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.683443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.683443 (E_RNA) where: Base-Base interactions energy: -1.036 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.051 local terms energy: -18.595912 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -4.485 tors. eta vs tors. theta energy: 1.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -19.343653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.343653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.343653 (E_RNA) where: Base-Base interactions energy: -1.328 where: short stacking energy: 0.171 Base-Backbone interact. energy: -0.851 local terms energy: -17.164016 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.532 flat angles P-C4'-P energy: -2.776 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: 9, replica: 10 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -19.431583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.431583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.431583 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.081 local terms energy: -19.350123 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.287 flat angles P-C4'-P energy: -3.585 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: 10, replica: 2 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -21.285476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.285476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.285476 (E_RNA) where: Base-Base interactions energy: -4.645 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.068 local terms energy: -16.572272 where: bonds (distance) C4'-P energy: -3.917 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.748 flat angles P-C4'-P energy: -4.110 tors. eta vs tors. theta energy: 1.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -23.230265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.230265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.230265 (E_RNA) where: Base-Base interactions energy: -5.638 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -17.574696 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.206 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -2.869 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: 2, replica: 9 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -20.040087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.040087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.040087 (E_RNA) where: Base-Base interactions energy: 0.262 where: short stacking energy: 0.262 Base-Backbone interact. energy: -0.021 local terms energy: -20.280361 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.223 flat angles P-C4'-P energy: -3.811 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: 3, replica: 3 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -19.962771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.962771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.962771 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.958958 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.556 flat angles P-C4'-P energy: -2.916 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: 4, replica: 7 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -21.247571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.247571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.247571 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.247546 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -2.538 flat angles P-C4'-P energy: -4.434 tors. eta vs tors. theta energy: -3.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -20.543407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.543407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.543407 (E_RNA) where: Base-Base interactions energy: -4.512 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.227 local terms energy: -15.804546 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.332 flat angles P-C4'-P energy: -3.953 tors. eta vs tors. theta energy: 3.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -20.116992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.116992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.116992 (E_RNA) where: Base-Base interactions energy: -2.436 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.050 local terms energy: -17.630327 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.689 flat angles P-C4'-P energy: -3.192 tors. eta vs tors. theta energy: 0.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -18.487716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.487716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.487716 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -18.484695 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.688 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -3.325 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: 10 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -21.444821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.444821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.444821 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.444807 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.146 flat angles P-C4'-P energy: -3.358 tors. eta vs tors. theta energy: -3.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -18.914906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.914906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.914906 (E_RNA) where: Base-Base interactions energy: -3.574 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.127 local terms energy: -15.214324 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.353 flat angles P-C4'-P energy: -1.855 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: 10, replica: 2 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -20.602484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.602484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.602484 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.115 local terms energy: -20.487538 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -4.110 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: 9 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -23.185407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.185407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.185407 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.185403 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.734 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -3.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -23.029344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.029344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.029344 (E_RNA) where: Base-Base interactions energy: 0.119 where: short stacking energy: 0.119 Base-Backbone interact. energy: -0.002 local terms energy: -23.146659 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -5.224 flat angles P-C4'-P energy: -3.589 tors. eta vs tors. theta energy: -3.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -21.474136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.474136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.474136 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.366 local terms energy: -20.108383 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -5.367 flat angles P-C4'-P energy: -4.458 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: 4, replica: 3 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -19.753544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.753544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.753544 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.180 local terms energy: -19.573651 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.399 flat angles P-C4'-P energy: -3.251 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: 5, replica: 5 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -20.969775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.969775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.969775 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.969617 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -3.888 flat angles P-C4'-P energy: -4.097 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: 1 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -23.010281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.010281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.010281 (E_RNA) where: Base-Base interactions energy: -4.985 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -17.926483 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.374 flat angles P-C4'-P energy: -4.702 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: 7, replica: 10 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -21.450106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.450106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.450106 (E_RNA) where: Base-Base interactions energy: 0.098 where: short stacking energy: 0.098 Base-Backbone interact. energy: -0.205 local terms energy: -21.342572 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.349 flat angles P-C4'-P energy: -3.391 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: 98 Temperature: 1.250000 Total energy: -20.489049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.489049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.489049 (E_RNA) where: Base-Base interactions energy: -2.174 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.314507 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -4.544 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -2.583 tors. eta vs tors. theta energy: -1.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -19.853613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.853613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.853613 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.069 local terms energy: -19.784807 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.525 flat angles P-C4'-P energy: -2.553 tors. eta vs tors. theta energy: -1.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -19.040483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.040483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.040483 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -18.949245 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -5.126 flat angles P-C4'-P energy: -2.312 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: 9 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -20.462838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.462838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.462838 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.462838 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.563 flat angles P-C4'-P energy: -3.959 tors. eta vs tors. theta energy: -0.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -23.253486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.253486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.253486 (E_RNA) where: Base-Base interactions energy: -1.454 where: short stacking energy: 0.301 Base-Backbone interact. energy: -0.001 local terms energy: -21.799207 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.368 flat angles P-C4'-P energy: -2.302 tors. eta vs tors. theta energy: -2.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -23.082471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.082471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.082471 (E_RNA) where: Base-Base interactions energy: -3.684 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.063 local terms energy: -19.335916 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.657 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: 0.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -20.092796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.092796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.092796 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -20.000718 where: bonds (distance) C4'-P energy: -3.747 bonds (distance) P-C4' energy: -4.811 flat angles C4'-P-C4' energy: -5.187 flat angles P-C4'-P energy: -4.464 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: 3 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -21.007004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.007004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.007004 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -21.107004 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.245 flat angles P-C4'-P energy: -4.694 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: 6, replica: 10 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -19.442296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.442296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.442296 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -19.381500 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -3.610 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: 1 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -20.721872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.721872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.721872 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.719155 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -3.665 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: 2 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -20.338030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.338030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.338030 (E_RNA) where: Base-Base interactions energy: -1.981 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.355306 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -3.953 flat angles P-C4'-P energy: -1.920 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: 9, replica: 6 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -20.534872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.534872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.534872 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.534871 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -4.128 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: 4 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -19.856929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.856929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.856929 (E_RNA) where: Base-Base interactions energy: 1.403 where: short stacking energy: 1.403 Base-Backbone interact. energy: -0.001 local terms energy: -21.258725 where: bonds (distance) C4'-P energy: -3.234 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.344 flat angles P-C4'-P energy: -4.057 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: 1, replica: 9 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -23.643221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.643221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.643221 (E_RNA) where: Base-Base interactions energy: -4.818 where: short stacking energy: 0.228 Base-Backbone interact. energy: -0.162 local terms energy: -18.663828 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -4.118 tors. eta vs tors. theta energy: 1.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -21.011304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.011304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.011304 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.083 local terms energy: -20.928458 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -4.344 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: 3, replica: 8 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -20.517061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.517061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.517061 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.049 local terms energy: -20.467892 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.713 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -4.493 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: 4, replica: 5 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -22.074134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.074134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.074134 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.074097 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -3.953 tors. eta vs tors. theta energy: -1.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -21.008098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.008098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.008098 (E_RNA) where: Base-Base interactions energy: -0.960 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.160 local terms energy: -19.888006 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -3.925 tors. eta vs tors. theta energy: 0.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -20.814945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.814945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.814945 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -20.787592 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.635 flat angles P-C4'-P energy: -3.999 tors. eta vs tors. theta energy: -2.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -20.379854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.379854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.379854 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.379854 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.421 flat angles P-C4'-P energy: -4.340 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: 1 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -18.987283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.987283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.987283 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.987283 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -2.757 flat angles P-C4'-P energy: -3.470 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: 9, replica: 4 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -19.411152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.411152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.411152 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.406268 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.209 flat angles C4'-P-C4' energy: -5.182 flat angles P-C4'-P energy: -3.370 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: 10, replica: 6 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -18.191640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.191640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.191640 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.131 local terms energy: -18.060425 where: bonds (distance) C4'-P energy: -3.818 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.011 flat angles P-C4'-P energy: -3.090 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: 1, replica: 9 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -22.022413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.022413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.022413 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.022412 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.255 flat angles C4'-P-C4' energy: -4.734 flat angles P-C4'-P energy: -3.738 tors. eta vs tors. theta energy: -4.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -21.612078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.612078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.612078 (E_RNA) where: Base-Base interactions energy: -4.847 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -16.668004 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.101 flat angles P-C4'-P energy: -3.210 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: 7 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -21.299816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.299816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.299816 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.222 local terms energy: -21.078093 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.973 flat angles P-C4'-P energy: -4.114 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: 4, replica: 10 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -22.385172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.385172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.385172 (E_RNA) where: Base-Base interactions energy: -4.168 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.264 local terms energy: -17.953153 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.830 flat angles P-C4'-P energy: -4.316 tors. eta vs tors. theta energy: 2.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -22.726729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.726729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.726729 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.726726 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.291 flat angles P-C4'-P energy: -3.677 tors. eta vs tors. theta energy: -5.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -19.710667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.710667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.710667 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.089 local terms energy: -19.622070 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.787 flat angles C4'-P-C4' energy: -3.877 flat angles P-C4'-P energy: -3.037 tors. eta vs tors. theta energy: -2.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -20.683905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.683905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.683905 (E_RNA) where: Base-Base interactions energy: -3.675 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -16.993791 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -1.762 tors. eta vs tors. theta energy: 1.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -20.677222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.677222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.677222 (E_RNA) where: Base-Base interactions energy: -2.806 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -17.854002 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -5.014 flat angles P-C4'-P energy: -3.900 tors. eta vs tors. theta energy: 1.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -19.032397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.032397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.032397 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.030574 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -2.668 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: 10, replica: 6 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -18.618319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.618319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.618319 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.101 local terms energy: -18.517606 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.236 flat angles P-C4'-P energy: -4.605 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: 1, replica: 8 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -22.392328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.392328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.392328 (E_RNA) where: Base-Base interactions energy: -5.173 where: short stacking energy: 0.016 Base-Backbone interact. energy: -0.100 local terms energy: -17.119545 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.263 flat angles P-C4'-P energy: -2.134 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: 2, replica: 9 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -21.691259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.691259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.691259 (E_RNA) where: Base-Base interactions energy: -5.466 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.104 local terms energy: -16.121161 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.181 flat angles P-C4'-P energy: -3.007 tors. eta vs tors. theta energy: 3.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -21.688373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.688373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.688373 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.688337 where: bonds (distance) C4'-P energy: -4.795 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: -1.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -21.616522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.616522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.616522 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -21.524306 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -4.469 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: 5, replica: 5 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -21.505383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.505383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.505383 (E_RNA) where: Base-Base interactions energy: -0.432 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.073323 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.376 flat angles P-C4'-P energy: -3.206 tors. eta vs tors. theta energy: -2.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -22.669442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.669442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.669442 (E_RNA) where: Base-Base interactions energy: -4.739 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -17.833719 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.627 flat angles P-C4'-P energy: -2.655 tors. eta vs tors. theta energy: 1.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -19.141952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.141952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.141952 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.140436 where: bonds (distance) C4'-P energy: -3.934 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.927 flat angles P-C4'-P energy: -3.234 tors. eta vs tors. theta energy: -0.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -19.163102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.163102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.163102 (E_RNA) where: Base-Base interactions energy: -4.744 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.196 local terms energy: -14.222851 where: bonds (distance) C4'-P energy: -3.652 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.639 flat angles P-C4'-P energy: -3.478 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: 9, replica: 6 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -20.727163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.727163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.727163 (E_RNA) where: Base-Base interactions energy: 0.328 where: short stacking energy: 0.328 Base-Backbone interact. energy: -0.000 local terms energy: -21.054614 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.112 flat angles P-C4'-P energy: -4.647 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: 10, replica: 1 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -20.686923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.686923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.686923 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.879 local terms energy: -19.807917 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.603 flat angles P-C4'-P energy: -4.214 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: 8 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -21.871633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.871633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.871633 (E_RNA) where: Base-Base interactions energy: -2.126 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.218 local terms energy: -19.526942 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -2.974 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: 10 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -21.820749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.820749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.820749 (E_RNA) where: Base-Base interactions energy: 0.197 where: short stacking energy: 0.197 Base-Backbone interact. energy: -0.004 local terms energy: -22.013546 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -3.280 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: 3, replica: 9 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -20.434557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.434557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.434557 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.431978 where: bonds (distance) C4'-P energy: -4.860 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.838 flat angles P-C4'-P energy: -3.678 tors. eta vs tors. theta energy: -0.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -21.038689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.038689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.038689 (E_RNA) where: Base-Base interactions energy: 0.205 where: short stacking energy: 0.205 Base-Backbone interact. energy: -0.000 local terms energy: -21.244012 where: bonds (distance) C4'-P energy: -4.538 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -3.218 tors. eta vs tors. theta energy: -1.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -19.785267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.785267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.785267 (E_RNA) where: Base-Base interactions energy: -3.343 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.131 local terms energy: -16.310901 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -4.783 flat angles C4'-P-C4' energy: -4.748 flat angles P-C4'-P energy: -4.617 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: 6, replica: 4 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -20.053627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.053627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.053627 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.053494 where: bonds (distance) C4'-P energy: -4.137 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: -0.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -20.153344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.153344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.153344 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.343 local terms energy: -20.496429 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.110 flat angles P-C4'-P energy: -4.542 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: 6 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -19.708566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.708566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.708566 (E_RNA) where: Base-Base interactions energy: 0.798 where: short stacking energy: 0.798 Base-Backbone interact. energy: -0.033 local terms energy: -20.472866 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.898 flat angles P-C4'-P energy: -3.132 tors. eta vs tors. theta energy: -2.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -18.976499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.976499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.976499 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -18.971502 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -4.066 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: 1 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -18.810167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.810167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.810167 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.810082 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.590 flat angles P-C4'-P energy: -3.578 tors. eta vs tors. theta energy: 0.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -23.251749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.251749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.251749 (E_RNA) where: Base-Base interactions energy: -5.762 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.483 local terms energy: -17.007019 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.422 flat angles P-C4'-P energy: -2.836 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: 104 Temperature: 0.950000 Total energy: -21.911767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.911767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.911767 (E_RNA) where: Base-Base interactions energy: -0.073 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.161 local terms energy: -21.677772 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -4.291 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: 5 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -20.887701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.887701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.887701 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.887621 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -2.542 flat angles P-C4'-P energy: -4.434 tors. eta vs tors. theta energy: -2.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -19.979238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.979238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.979238 (E_RNA) where: Base-Base interactions energy: -0.863 where: short stacking energy: 0.076 Base-Backbone interact. energy: -0.024 local terms energy: -19.092739 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.208 flat angles P-C4'-P energy: -2.697 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: 4 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -21.387507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.387507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.387507 (E_RNA) where: Base-Base interactions energy: -0.842 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.544883 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -4.454 tors. eta vs tors. theta energy: 0.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -18.442525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.442525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.442525 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.440552 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -3.754 tors. eta vs tors. theta energy: 1.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -20.245326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.245326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.245326 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.245207 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -3.686 flat angles P-C4'-P energy: -3.983 tors. eta vs tors. theta energy: -2.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -19.824432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.824432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.824432 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.823930 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.622 flat angles P-C4'-P energy: -4.621 tors. eta vs tors. theta energy: -0.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -20.157423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.157423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.157423 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.157393 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.763 flat angles P-C4'-P energy: -3.658 tors. eta vs tors. theta energy: -0.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -19.710102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.710102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.710102 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -19.689417 where: bonds (distance) C4'-P energy: -4.537 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -2.367 flat angles P-C4'-P energy: -3.424 tors. eta vs tors. theta energy: -3.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -21.736213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.736213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.736213 (E_RNA) where: Base-Base interactions energy: -0.378 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.836 local terms energy: -19.522202 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.535 flat angles P-C4'-P energy: -4.547 tors. eta vs tors. theta energy: 0.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -22.852191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.852191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.852191 (E_RNA) where: Base-Base interactions energy: -1.665 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.374 local terms energy: -20.813008 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.724 flat angles P-C4'-P energy: -2.465 tors. eta vs tors. theta energy: -2.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -22.896956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.896956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.896956 (E_RNA) where: Base-Base interactions energy: 0.027 where: short stacking energy: 0.027 Base-Backbone interact. energy: -0.068 local terms energy: -22.855490 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.342 flat angles P-C4'-P energy: -4.381 tors. eta vs tors. theta energy: -3.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -22.235977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.235977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.235977 (E_RNA) where: Base-Base interactions energy: -7.801 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -14.338020 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.808 flat angles P-C4'-P energy: -3.403 tors. eta vs tors. theta energy: 2.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -20.139917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.139917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.139917 (E_RNA) where: Base-Base interactions energy: 0.826 where: short stacking energy: 0.826 Base-Backbone interact. energy: -0.000 local terms energy: -20.965847 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.215 flat angles P-C4'-P energy: -2.283 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: 6, replica: 6 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -19.917116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.917116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.917116 (E_RNA) where: Base-Base interactions energy: 0.788 where: short stacking energy: 0.788 Base-Backbone interact. energy: -0.000 local terms energy: -20.704713 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.590 flat angles P-C4'-P energy: -4.397 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: 7, replica: 7 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -18.893237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.893237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.893237 (E_RNA) where: Base-Base interactions energy: -2.030 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.066 local terms energy: -16.796498 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -2.660 tors. eta vs tors. theta energy: 1.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -18.269563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.269563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.269563 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.070 local terms energy: -18.199951 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.150 flat angles P-C4'-P energy: -3.650 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: 9, replica: 2 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -18.714136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.714136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.714136 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.713303 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -2.302 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: 105 Temperature: 1.350000 Total energy: -19.377687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.377687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.377687 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.039 local terms energy: -19.338953 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.010 flat angles P-C4'-P energy: -3.278 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: 1, replica: 5 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -20.838684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.838684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.838684 (E_RNA) where: Base-Base interactions energy: -1.193 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.077 local terms energy: -19.568683 where: bonds (distance) C4'-P energy: -4.323 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.484 flat angles P-C4'-P energy: -4.675 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: 10 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -20.788935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.788935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.788935 (E_RNA) where: Base-Base interactions energy: -1.013 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.775413 where: bonds (distance) C4'-P energy: -5.283 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.744 flat angles P-C4'-P energy: -2.961 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: 3, replica: 4 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -20.740011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.740011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.740011 (E_RNA) where: Base-Base interactions energy: -2.162 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.318 local terms energy: -18.259176 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.832 flat angles P-C4'-P energy: -2.765 tors. eta vs tors. theta energy: -0.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -22.882441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.882441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.882441 (E_RNA) where: Base-Base interactions energy: -5.401 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.089 local terms energy: -17.393170 where: bonds (distance) C4'-P energy: -4.369 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.204 flat angles P-C4'-P energy: -4.146 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: 5, replica: 9 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -21.628779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.628779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.628779 (E_RNA) where: Base-Base interactions energy: -5.142 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -16.396614 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -3.894 flat angles P-C4'-P energy: -4.206 tors. eta vs tors. theta energy: 2.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -19.856773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.856773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.856773 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -19.843366 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -3.959 flat angles C4'-P-C4' energy: -5.314 flat angles P-C4'-P energy: -4.215 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: 7, replica: 1 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -20.735077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.735077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.735077 (E_RNA) where: Base-Base interactions energy: -3.508 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.060 local terms energy: -17.166499 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.509 flat angles P-C4'-P energy: -4.323 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: 8, replica: 7 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -20.384200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.384200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.384200 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.009 local terms energy: -20.674946 where: bonds (distance) C4'-P energy: -4.351 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.189 flat angles P-C4'-P energy: -3.048 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: 106 Temperature: 1.300000 Total energy: -19.423908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.423908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.423908 (E_RNA) where: Base-Base interactions energy: 0.886 where: short stacking energy: 0.886 Base-Backbone interact. energy: -0.005 local terms energy: -20.305864 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -3.939 tors. eta vs tors. theta energy: -0.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -19.699844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.699844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.699844 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.699581 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -4.369 tors. eta vs tors. theta energy: -0.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -21.289103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.289103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.289103 (E_RNA) where: Base-Base interactions energy: -2.758 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -18.516962 where: bonds (distance) C4'-P energy: -4.369 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.481 flat angles P-C4'-P energy: -4.324 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: 2, replica: 4 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -21.621541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.621541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.621541 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -21.606634 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.372 flat angles P-C4'-P energy: -4.123 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: 10 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -20.300536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.300536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.300536 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.300524 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.806 flat angles P-C4'-P energy: -4.182 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: 4, replica: 9 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -20.834462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.834462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.834462 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -20.934426 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -2.857 tors. eta vs tors. theta energy: -2.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -19.690860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.690860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.690860 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.316 local terms energy: -19.375183 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -4.194 flat angles P-C4'-P energy: -4.094 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: 6, replica: 1 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -19.763895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.763895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.763895 (E_RNA) where: Base-Base interactions energy: -1.111 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.156 local terms energy: -18.496602 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.194 flat angles P-C4'-P energy: -2.162 tors. eta vs tors. theta energy: -0.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -20.596607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.596607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.596607 (E_RNA) where: Base-Base interactions energy: 0.998 where: short stacking energy: 0.998 Base-Backbone interact. energy: -0.000 local terms energy: -21.595059 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.590 flat angles P-C4'-P energy: -3.745 tors. eta vs tors. theta energy: -2.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -19.300624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.300624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.300624 (E_RNA) where: Base-Base interactions energy: 0.626 where: short stacking energy: 0.626 Base-Backbone interact. energy: -0.729 local terms energy: -19.197451 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.602 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: 0.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -19.089021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.089021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.089021 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.088946 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -2.935 tors. eta vs tors. theta energy: -0.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -23.079038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.079038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.079038 (E_RNA) where: Base-Base interactions energy: -5.666 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.106 local terms energy: -17.306515 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.050 flat angles C4'-P-C4' energy: -4.132 flat angles P-C4'-P energy: -3.811 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: 1, replica: 4 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -22.877454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.877454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.877454 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.877443 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -3.868 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: 2, replica: 5 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -22.721046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.721046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.721046 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.720863 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -3.872 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: 108 Temperature: 1.000000 Total energy: -22.006578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.006578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.006578 (E_RNA) where: Base-Base interactions energy: -6.084 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -15.921758 where: bonds (distance) C4'-P energy: -3.118 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -4.924 flat angles P-C4'-P energy: -3.076 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: 4, replica: 10 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -21.534881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.534881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.534881 (E_RNA) where: Base-Base interactions energy: -0.704 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.830277 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -4.781 flat angles P-C4'-P energy: -4.828 tors. eta vs tors. theta energy: -1.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -22.118045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.118045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.118045 (E_RNA) where: Base-Base interactions energy: -6.052 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.062 local terms energy: -16.004585 where: bonds (distance) C4'-P energy: -3.809 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.353 flat angles P-C4'-P energy: -2.990 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: 6, replica: 8 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -20.567124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.567124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.567124 (E_RNA) where: Base-Base interactions energy: 0.369 where: short stacking energy: 0.369 Base-Backbone interact. energy: -0.002 local terms energy: -20.934726 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.274 flat angles P-C4'-P energy: -2.352 tors. eta vs tors. theta energy: -2.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -20.046046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.046046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.046046 (E_RNA) where: Base-Base interactions energy: -4.146 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.109 local terms energy: -15.791541 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -2.206 tors. eta vs tors. theta energy: 0.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -19.923486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.923486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.923486 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.100 local terms energy: -19.923176 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -5.425 flat angles P-C4'-P energy: -3.799 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: 9, replica: 2 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -19.185346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.185346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.185346 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -19.093489 where: bonds (distance) C4'-P energy: -3.615 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -3.884 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: 7 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -17.299709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.299709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.299709 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -17.268963 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -2.571 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: 4 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -21.160279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.160279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.160279 (E_RNA) where: Base-Base interactions energy: -1.433 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.727640 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.226 flat angles P-C4'-P energy: -2.369 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: 2, replica: 9 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -20.854684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.854684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.854684 (E_RNA) where: Base-Base interactions energy: -2.100 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -18.733787 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.475 flat angles P-C4'-P energy: -3.521 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: 5 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -19.514237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.514237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.514237 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -19.507120 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -4.152 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: 4, replica: 10 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -21.044323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.044323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.044323 (E_RNA) where: Base-Base interactions energy: -1.217 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.827262 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -2.417 flat angles P-C4'-P energy: -4.275 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: 5, replica: 1 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -21.972464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.972464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.972464 (E_RNA) where: Base-Base interactions energy: -2.825 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.145850 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -2.587 flat angles C4'-P-C4' energy: -5.111 flat angles P-C4'-P energy: -4.173 tors. eta vs tors. theta energy: -2.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -20.378160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.378160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.378160 (E_RNA) where: Base-Base interactions energy: -6.685 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.171 local terms energy: -13.522813 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -3.266 flat angles P-C4'-P energy: -4.149 tors. eta vs tors. theta energy: 3.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -18.805311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.805311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.805311 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.803141 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.242 flat angles P-C4'-P energy: -3.893 tors. eta vs tors. theta energy: 0.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -19.386311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.386311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.386311 (E_RNA) where: Base-Base interactions energy: 1.812 where: short stacking energy: 1.812 Base-Backbone interact. energy: -0.016 local terms energy: -21.182727 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.278 flat angles P-C4'-P energy: -3.862 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: 9, replica: 6 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -18.963852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.963852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.963852 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -18.948743 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -5.293 flat angles P-C4'-P energy: -4.059 tors. eta vs tors. theta energy: 0.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -18.939415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.939415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.939415 (E_RNA) where: Base-Base interactions energy: -0.708 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -18.223909 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.146 flat angles P-C4'-P energy: -4.824 tors. eta vs tors. theta energy: 1.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -21.263934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.263934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.263934 (E_RNA) where: Base-Base interactions energy: -1.126 where: short stacking energy: 0.054 Base-Backbone interact. energy: -1.186 local terms energy: -18.952188 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.188 flat angles C4'-P-C4' energy: -4.696 flat angles P-C4'-P energy: -3.925 tors. eta vs tors. theta energy: -1.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -21.593792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.593792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.593792 (E_RNA) where: Base-Base interactions energy: -5.426 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.050 local terms energy: -16.117638 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.156 flat angles P-C4'-P energy: -2.391 tors. eta vs tors. theta energy: 2.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -20.907786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.907786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.907786 (E_RNA) where: Base-Base interactions energy: -5.050 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.319 local terms energy: -15.538007 where: bonds (distance) C4'-P energy: -3.349 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -3.925 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: 4, replica: 5 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -22.389811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.389811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.389811 (E_RNA) where: Base-Base interactions energy: 0.456 where: short stacking energy: 0.456 Base-Backbone interact. energy: -0.000 local terms energy: -22.845356 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.979 flat angles P-C4'-P energy: -4.092 tors. eta vs tors. theta energy: -2.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -19.612000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.612000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.612000 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.007 local terms energy: -19.704840 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.181 flat angles P-C4'-P energy: -2.072 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: 6, replica: 1 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -19.670957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.670957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.670957 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.670949 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.971 flat angles P-C4'-P energy: -3.363 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: 7, replica: 2 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -21.316954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.316954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.316954 (E_RNA) where: Base-Base interactions energy: -0.380 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.936723 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.347 flat angles P-C4'-P energy: -3.508 tors. eta vs tors. theta energy: -1.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -19.518250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.518250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.518250 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -19.418249 where: bonds (distance) C4'-P energy: -3.992 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.625 flat angles P-C4'-P energy: -4.676 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: 9, replica: 7 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -17.692469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.692469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.692469 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.689 local terms energy: -18.381227 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -3.438 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: 10, replica: 6 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -20.201367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.201367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.201367 (E_RNA) where: Base-Base interactions energy: 1.125 where: short stacking energy: 1.125 Base-Backbone interact. energy: -0.000 local terms energy: -21.326126 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.099 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: -3.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -22.632913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.632913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.632913 (E_RNA) where: Base-Base interactions energy: -4.816 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.202 local terms energy: -17.614895 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.047 flat angles P-C4'-P energy: -0.914 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: 2, replica: 4 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -21.102701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.102701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.102701 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.100862 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.239 flat angles P-C4'-P energy: -4.343 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: 3, replica: 10 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -21.787300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.787300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.787300 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.083 local terms energy: -21.704560 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.346 flat angles P-C4'-P energy: -4.683 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: 4, replica: 3 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -21.805876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.805876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.805876 (E_RNA) where: Base-Base interactions energy: -5.096 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.048 local terms energy: -16.661614 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.462 flat angles P-C4'-P energy: -3.357 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: 5, replica: 5 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -20.133206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.133206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.133206 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -20.111735 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.765 flat angles P-C4'-P energy: -4.437 tors. eta vs tors. theta energy: -0.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -20.175390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.175390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.175390 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.175295 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.664 flat angles P-C4'-P energy: -4.306 tors. eta vs tors. theta energy: -0.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -21.935185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.935185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.935185 (E_RNA) where: Base-Base interactions energy: -5.174 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -16.664106 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.690 flat angles P-C4'-P energy: -4.158 tors. eta vs tors. theta energy: 2.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -21.363438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.363438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.363438 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -21.302702 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.876 flat angles P-C4'-P energy: -3.793 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: 9, replica: 8 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -22.112174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.112174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.112174 (E_RNA) where: Base-Base interactions energy: -7.298 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.800 local terms energy: -14.014643 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.638 flat angles P-C4'-P energy: -3.487 tors. eta vs tors. theta energy: 3.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -20.099199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.099199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.099199 (E_RNA) where: Base-Base interactions energy: -1.412 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.865 local terms energy: -19.552032 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -5.328 flat angles P-C4'-P energy: -1.520 tors. eta vs tors. theta energy: -3.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -21.761827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.761827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.761827 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -21.861802 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -3.386 tors. eta vs tors. theta energy: -3.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -22.693263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.693263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.693263 (E_RNA) where: Base-Base interactions energy: -7.203 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.089 local terms energy: -15.401041 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -2.916 tors. eta vs tors. theta energy: 2.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -20.544573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.544573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.544573 (E_RNA) where: Base-Base interactions energy: -5.806 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.459 local terms energy: -14.280051 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.542 flat angles P-C4'-P energy: -3.961 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: 4, replica: 10 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -21.693705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.693705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.693705 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.026 local terms energy: -21.667490 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.293 flat angles P-C4'-P energy: -4.741 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: 5, replica: 2 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -20.622829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.622829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.622829 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.621232 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -3.410 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: 6, replica: 5 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -22.155925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.155925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.155925 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -22.059989 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.674 flat angles P-C4'-P energy: -4.487 tors. eta vs tors. theta energy: -1.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -19.942437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.942437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.942437 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.001 local terms energy: -20.241733 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -3.165 flat angles P-C4'-P energy: -4.094 tors. eta vs tors. theta energy: -2.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -19.731550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.731550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.731550 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -19.638984 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -4.263 flat angles P-C4'-P energy: -4.515 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: 6 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -18.918396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.918396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.918396 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.079 local terms energy: -18.838896 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -5.521 flat angles P-C4'-P energy: -3.699 tors. eta vs tors. theta energy: -0.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -19.220954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.220954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.220954 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.144 local terms energy: -19.077103 where: bonds (distance) C4'-P energy: -3.987 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.981 flat angles P-C4'-P energy: -3.451 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: 1, replica: 4 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -21.815537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.815537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.815537 (E_RNA) where: Base-Base interactions energy: -2.028 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.650 local terms energy: -19.137658 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -3.930 flat angles P-C4'-P energy: -3.093 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: 2, replica: 3 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -20.465331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.465331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.465331 (E_RNA) where: Base-Base interactions energy: -2.098 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.069 local terms energy: -18.436979 where: bonds (distance) C4'-P energy: -4.431 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.306 flat angles P-C4'-P energy: -4.447 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: 9 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -19.632195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.632195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.632195 (E_RNA) where: Base-Base interactions energy: 0.134 where: short stacking energy: 0.134 Base-Backbone interact. energy: -0.922 local terms energy: -18.844547 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.492 flat angles P-C4'-P energy: -3.509 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: 4, replica: 2 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -21.121040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.121040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.121040 (E_RNA) where: Base-Base interactions energy: -2.463 where: short stacking energy: 0.811 Base-Backbone interact. energy: -0.003 local terms energy: -18.655316 where: bonds (distance) C4'-P energy: -3.992 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.976 flat angles P-C4'-P energy: -4.448 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: 5, replica: 10 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -22.047701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.047701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.047701 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.047393 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -3.808 flat angles P-C4'-P energy: -4.609 tors. eta vs tors. theta energy: -3.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -20.072678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.072678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.072678 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -20.037323 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.845 flat angles P-C4'-P energy: -4.299 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: 7, replica: 7 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -21.263078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.263078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.263078 (E_RNA) where: Base-Base interactions energy: -2.385 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.117 local terms energy: -18.760448 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.001 flat angles P-C4'-P energy: -4.133 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: 8, replica: 6 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -19.284246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.284246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.284246 (E_RNA) where: Base-Base interactions energy: -3.259 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.227 local terms energy: -15.798398 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.560 flat angles P-C4'-P energy: -2.706 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: 9, replica: 1 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -20.565190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.565190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.565190 (E_RNA) where: Base-Base interactions energy: -5.205 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -15.345439 where: bonds (distance) C4'-P energy: -3.118 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.674 flat angles P-C4'-P energy: -3.087 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: 8 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -19.758729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.758729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.758729 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.195 local terms energy: -19.563565 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -3.790 tors. eta vs tors. theta energy: -0.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -23.221123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.221123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.221123 (E_RNA) where: Base-Base interactions energy: -5.075 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.026 local terms energy: -18.119967 where: bonds (distance) C4'-P energy: -3.834 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.878 flat angles P-C4'-P energy: -4.276 tors. eta vs tors. theta energy: -0.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -21.293546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.293546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.293546 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.293543 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.286 flat angles P-C4'-P energy: -3.852 tors. eta vs tors. theta energy: -0.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -19.899938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.899938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.899938 (E_RNA) where: Base-Base interactions energy: -5.610 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.159 local terms energy: -14.131000 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.996 flat angles P-C4'-P energy: -1.286 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: 4, replica: 9 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -21.379509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.379509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.379509 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.379504 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -3.373 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: 5, replica: 5 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -22.149808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.149808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.149808 (E_RNA) where: Base-Base interactions energy: -4.232 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.111 local terms energy: -17.806931 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.972 flat angles P-C4'-P energy: -2.695 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: 6, replica: 10 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -20.523019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.523019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.523019 (E_RNA) where: Base-Base interactions energy: -1.749 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -18.742995 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -3.153 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: 7, replica: 6 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -19.369832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.369832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.369832 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.369830 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.819 flat angles P-C4'-P energy: -3.761 tors. eta vs tors. theta energy: -0.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -20.024509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.024509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.024509 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.024483 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.285 flat angles P-C4'-P energy: -3.493 tors. eta vs tors. theta energy: -0.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -19.912139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.912139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.912139 (E_RNA) where: Base-Base interactions energy: -0.678 where: short stacking energy: 1.100 Base-Backbone interact. energy: -0.090 local terms energy: -19.144178 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -2.662 tors. eta vs tors. theta energy: -0.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -17.849117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.849117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.849117 (E_RNA) where: Base-Base interactions energy: -1.973 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -15.871152 where: bonds (distance) C4'-P energy: -4.315 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -4.346 flat angles P-C4'-P energy: -2.501 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: 3 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -22.939723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.939723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.939723 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.053 local terms energy: -22.886636 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.557 flat angles P-C4'-P energy: -3.470 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: 2 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -20.008803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.008803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.008803 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.008691 where: bonds (distance) C4'-P energy: -5.143 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.063 flat angles P-C4'-P energy: -3.333 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: 3, replica: 4 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -22.771456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.771456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.771456 (E_RNA) where: Base-Base interactions energy: -5.812 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.042 local terms energy: -16.917561 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -3.570 tors. eta vs tors. theta energy: 1.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -21.309821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.309821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.309821 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.308944 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -4.518 flat angles P-C4'-P energy: -3.719 tors. eta vs tors. theta energy: -2.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -19.720338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.720338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.720338 (E_RNA) where: Base-Base interactions energy: -3.996 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -15.716996 where: bonds (distance) C4'-P energy: -3.172 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.419 flat angles P-C4'-P energy: -2.633 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: 6 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -19.099021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.099021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.099021 (E_RNA) where: Base-Base interactions energy: -0.166 where: short stacking energy: 0.700 Base-Backbone interact. energy: -0.001 local terms energy: -18.932745 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.460 flat angles C4'-P-C4' energy: -4.287 flat angles P-C4'-P energy: -2.459 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: 7, replica: 10 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -19.211091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.211091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.211091 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -19.194341 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.201 flat angles P-C4'-P energy: -4.059 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: 1 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -19.961053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.961053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.961053 (E_RNA) where: Base-Base interactions energy: 0.004 where: short stacking energy: 0.004 Base-Backbone interact. energy: -0.000 local terms energy: -19.964653 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -2.078 flat angles P-C4'-P energy: -4.164 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: 7 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -18.424620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.424620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.424620 (E_RNA) where: Base-Base interactions energy: -3.756 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -14.575820 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.280 flat angles P-C4'-P energy: -4.449 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: 10, replica: 8 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -20.105625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.105625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.105625 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.105477 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -3.954 flat angles P-C4'-P energy: -4.286 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: 1, replica: 2 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -22.976655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.976655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.976655 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.976651 where: bonds (distance) C4'-P energy: -3.871 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.254 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: -4.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -19.979993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.979993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.979993 (E_RNA) where: Base-Base interactions energy: -4.161 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.033 local terms energy: -15.786477 where: bonds (distance) C4'-P energy: -4.385 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -4.529 flat angles P-C4'-P energy: -2.910 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: 4 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -22.056848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.056848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.056848 (E_RNA) where: Base-Base interactions energy: -1.987 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.116 local terms energy: -19.953654 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -4.379 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: 4, replica: 5 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -21.108728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.108728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.108728 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.108208 where: bonds (distance) C4'-P energy: -4.733 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.385 flat angles P-C4'-P energy: -3.111 tors. eta vs tors. theta energy: -3.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -21.166305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.166305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.166305 (E_RNA) where: Base-Base interactions energy: -5.094 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.204 local terms energy: -15.868883 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.050 flat angles P-C4'-P energy: -2.702 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: 9 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -20.286139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.286139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.286139 (E_RNA) where: Base-Base interactions energy: -1.490 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.116 local terms energy: -18.680280 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.268 flat angles C4'-P-C4' energy: -3.926 flat angles P-C4'-P energy: -4.731 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: 1 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -19.985418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.985418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.985418 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.985282 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.568 flat angles P-C4'-P energy: -3.796 tors. eta vs tors. theta energy: -1.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -20.631953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.631953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.631953 (E_RNA) where: Base-Base interactions energy: -4.110 where: short stacking energy: 0.881 Base-Backbone interact. energy: -0.000 local terms energy: -16.521917 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -2.823 flat angles C4'-P-C4' energy: -5.463 flat angles P-C4'-P energy: -4.160 tors. eta vs tors. theta energy: 1.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -18.689184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.689184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.689184 (E_RNA) where: Base-Base interactions energy: 0.579 where: short stacking energy: 0.579 Base-Backbone interact. energy: -0.000 local terms energy: -19.268150 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.751 flat angles P-C4'-P energy: -2.928 tors. eta vs tors. theta energy: -1.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -18.561411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.561411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.561411 (E_RNA) where: Base-Base interactions energy: -0.168 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -18.357580 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.167 flat angles P-C4'-P energy: -4.270 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: 2 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -21.002576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.002576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.002576 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.999396 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -3.239 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: 2, replica: 4 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -22.494573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.494573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.494573 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.077 local terms energy: -22.417605 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -4.391 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: 3, replica: 3 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -20.714955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.714955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.714955 (E_RNA) where: Base-Base interactions energy: -0.604 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.712 local terms energy: -19.398530 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.778 flat angles P-C4'-P energy: -4.243 tors. eta vs tors. theta energy: 1.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -21.685735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.685735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.685735 (E_RNA) where: Base-Base interactions energy: -3.887 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -17.796823 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.749 flat angles P-C4'-P energy: -4.074 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: 5, replica: 5 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -20.865505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.865505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.865505 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.064 local terms energy: -20.801112 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -4.390 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: 6, replica: 1 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -19.976218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.976218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.976218 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -19.876322 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.841 flat angles P-C4'-P energy: -2.816 tors. eta vs tors. theta energy: -1.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -20.198855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.198855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.198855 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.198823 where: bonds (distance) C4'-P energy: -4.860 bonds (distance) P-C4' energy: -4.258 flat angles C4'-P-C4' energy: -5.686 flat angles P-C4'-P energy: -4.535 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: 8, replica: 8 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -19.831124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.831124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.831124 (E_RNA) where: Base-Base interactions energy: -1.562 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.425 local terms energy: -18.694866 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -4.310 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: 9, replica: 10 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -19.007352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.007352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.007352 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.007335 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -2.952 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: 10, replica: 7 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -18.389579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.389579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.389579 (E_RNA) where: Base-Base interactions energy: 0.032 where: short stacking energy: 0.032 Base-Backbone interact. energy: -0.001 local terms energy: -18.420257 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.488 flat angles P-C4'-P energy: -2.675 tors. eta vs tors. theta energy: 0.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -21.605093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.605093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.605093 (E_RNA) where: Base-Base interactions energy: -1.746 where: short stacking energy: 0.155 Base-Backbone interact. energy: -0.003 local terms energy: -19.855914 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.377 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: 2, replica: 2 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -21.802947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.802947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.802947 (E_RNA) where: Base-Base interactions energy: 0.317 where: short stacking energy: 0.317 Base-Backbone interact. energy: -0.000 local terms energy: -22.119751 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.209 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -2.863 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: 3, replica: 6 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -24.275277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.275277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.275277 (E_RNA) where: Base-Base interactions energy: -5.552 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -18.701875 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.391 flat angles P-C4'-P energy: -4.731 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: 4, replica: 3 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -21.756684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.756684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.756684 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.755110 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.524 flat angles P-C4'-P energy: -3.764 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: 5, replica: 1 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -21.306443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.306443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.306443 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.306434 where: bonds (distance) C4'-P energy: -2.762 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.600 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: -3.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -21.152304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.152304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.152304 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -21.145656 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -3.975 flat angles P-C4'-P energy: -3.201 tors. eta vs tors. theta energy: -3.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -20.139898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.139898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.139898 (E_RNA) where: Base-Base interactions energy: -1.373 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.016 local terms energy: -18.783378 where: bonds (distance) C4'-P energy: -4.140 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.056 flat angles P-C4'-P energy: -3.853 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: 8, replica: 9 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -19.506674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.506674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.506674 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.503140 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.926 flat angles P-C4'-P energy: -3.125 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: 9, replica: 7 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -19.601852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.601852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.601852 (E_RNA) where: Base-Base interactions energy: -2.633 where: short stacking energy: 0.039 Base-Backbone interact. energy: -0.000 local terms energy: -16.968861 where: bonds (distance) C4'-P energy: -4.315 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -1.712 flat angles P-C4'-P energy: -3.472 tors. eta vs tors. theta energy: -1.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -17.346420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.346420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.346420 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.019 local terms energy: -17.327406 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.776 flat angles P-C4'-P energy: -4.580 tors. eta vs tors. theta energy: 1.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -21.949605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.949605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.949605 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.949481 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -3.956 flat angles C4'-P-C4' energy: -5.116 flat angles P-C4'-P energy: -4.816 tors. eta vs tors. theta energy: -2.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -20.304484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.304484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.304484 (E_RNA) where: Base-Base interactions energy: -0.971 where: short stacking energy: 0.217 Base-Backbone interact. energy: -0.002 local terms energy: -19.331577 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -3.460 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: 6 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -21.299930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.299930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.299930 (E_RNA) where: Base-Base interactions energy: -4.990 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -16.295815 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -1.873 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: 4, replica: 1 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -22.461818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.461818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.461818 (E_RNA) where: Base-Base interactions energy: -4.772 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.046 local terms energy: -17.643355 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.277 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: 2.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -21.652557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.652557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.652557 (E_RNA) where: Base-Base interactions energy: -0.725 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.807 local terms energy: -20.120907 where: bonds (distance) C4'-P energy: -4.451 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.747 flat angles P-C4'-P energy: -4.580 tors. eta vs tors. theta energy: -1.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -20.055917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.055917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.055917 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.207 local terms energy: -20.262530 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.047 flat angles P-C4'-P energy: -4.158 tors. eta vs tors. theta energy: -1.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -20.142634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.142634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.142634 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.142336 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -3.456 flat angles P-C4'-P energy: -4.609 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: 8, replica: 7 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -18.660054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.660054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.660054 (E_RNA) where: Base-Base interactions energy: -1.015 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -17.644116 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.047 flat angles P-C4'-P energy: -1.280 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: 9, replica: 9 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -21.552975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.552975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.552975 (E_RNA) where: Base-Base interactions energy: -4.444 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -17.108445 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -3.414 flat angles P-C4'-P energy: -3.363 tors. eta vs tors. theta energy: -0.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -19.182652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.182652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.182652 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -19.176658 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.344 flat angles P-C4'-P energy: -2.436 tors. eta vs tors. theta energy: -1.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -21.625682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.625682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.625682 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -21.525956 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.711 flat angles P-C4'-P energy: -3.352 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: 2, replica: 4 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -21.777709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.777709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.777709 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.777636 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.903 flat angles P-C4'-P energy: -3.689 tors. eta vs tors. theta energy: -3.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -22.224603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.224603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.224603 (E_RNA) where: Base-Base interactions energy: 0.069 where: short stacking energy: 0.069 Base-Backbone interact. energy: -0.000 local terms energy: -22.293404 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -4.688 flat angles C4'-P-C4' energy: -5.268 flat angles P-C4'-P energy: -4.520 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: 4, replica: 6 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -22.950969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.950969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.950969 (E_RNA) where: Base-Base interactions energy: 0.597 where: short stacking energy: 0.789 Base-Backbone interact. energy: -0.000 local terms energy: -23.547624 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.503 flat angles P-C4'-P energy: -4.285 tors. eta vs tors. theta energy: -3.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -20.752437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.752437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.752437 (E_RNA) where: Base-Base interactions energy: 0.365 where: short stacking energy: 0.365 Base-Backbone interact. energy: -0.002 local terms energy: -21.116115 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -2.740 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: 6, replica: 3 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -20.994369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.994369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.994369 (E_RNA) where: Base-Base interactions energy: -3.757 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -17.221261 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.233 flat angles C4'-P-C4' energy: -4.912 flat angles P-C4'-P energy: -4.399 tors. eta vs tors. theta energy: 1.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -20.327957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.327957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.327957 (E_RNA) where: Base-Base interactions energy: -0.702 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.066 local terms energy: -19.559583 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.969 flat angles C4'-P-C4' energy: -4.435 flat angles P-C4'-P energy: -4.287 tors. eta vs tors. theta energy: -1.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -19.885542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.885542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.885542 (E_RNA) where: Base-Base interactions energy: -2.925 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -16.957533 where: bonds (distance) C4'-P energy: -1.909 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.548 flat angles P-C4'-P energy: -3.271 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: 9, replica: 10 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -19.753454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.753454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.753454 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.750818 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -2.644 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: 10, replica: 9 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -19.430460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.430460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.430460 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.479 local terms energy: -18.951099 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.114 flat angles P-C4'-P energy: -4.329 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: 1, replica: 2 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -24.340337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.340337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.340337 (E_RNA) where: Base-Base interactions energy: -4.189 where: short stacking energy: 0.984 Base-Backbone interact. energy: -0.102 local terms energy: -20.049269 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -4.158 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: 2, replica: 1 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -22.916350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.916350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.916350 (E_RNA) where: Base-Base interactions energy: -5.370 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -17.542899 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.042 flat angles P-C4'-P energy: -4.523 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: 3, replica: 4 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -20.992957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.992957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.992957 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.992420 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.932 flat angles P-C4'-P energy: -4.264 tors. eta vs tors. theta energy: -1.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -24.961659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.961659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.961659 (E_RNA) where: Base-Base interactions energy: -4.428 where: short stacking energy: 0.383 Base-Backbone interact. energy: -0.018 local terms energy: -20.515507 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -3.910 flat angles P-C4'-P energy: -2.353 tors. eta vs tors. theta energy: -4.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -22.293179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.293179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.293179 (E_RNA) where: Base-Base interactions energy: -5.619 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.058 local terms energy: -16.617030 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.630 flat angles P-C4'-P energy: -1.683 tors. eta vs tors. theta energy: 0.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -21.806832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.806832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.806832 (E_RNA) where: Base-Base interactions energy: -3.215 where: short stacking energy: 0.086 Base-Backbone interact. energy: -0.003 local terms energy: -18.588013 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -4.971 flat angles P-C4'-P energy: -4.543 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: 7, replica: 3 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -21.229217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.229217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.229217 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -21.224608 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -3.377 tors. eta vs tors. theta energy: -1.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -22.052625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.052625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.052625 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.730 local terms energy: -22.782336 where: bonds (distance) C4'-P energy: -5.097 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.733 flat angles P-C4'-P energy: -4.341 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: 9, replica: 5 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -18.704163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.704163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.704163 (E_RNA) where: Base-Base interactions energy: -0.868 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -17.835049 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.135 flat angles P-C4'-P energy: -3.209 tors. eta vs tors. theta energy: -0.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -19.369508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.369508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.369508 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -19.270702 where: bonds (distance) C4'-P energy: -4.161 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -3.822 flat angles P-C4'-P energy: -3.635 tors. eta vs tors. theta energy: -2.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -23.405689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.405689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.405689 (E_RNA) where: Base-Base interactions energy: -5.365 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.040845 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -3.856 flat angles P-C4'-P energy: -1.627 tors. eta vs tors. theta energy: -2.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -21.547173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.547173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.547173 (E_RNA) where: Base-Base interactions energy: -0.014 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -21.526793 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.373 flat angles P-C4'-P energy: -3.633 tors. eta vs tors. theta energy: -1.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -20.156742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.156742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.156742 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -20.147620 where: bonds (distance) C4'-P energy: -4.057 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -4.215 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: 4, replica: 4 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -21.279460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.279460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.279460 (E_RNA) where: Base-Base interactions energy: -3.694 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.078 local terms energy: -17.507002 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -2.989 flat angles P-C4'-P energy: -3.158 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: 5, replica: 7 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -19.434248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.434248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.434248 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.432439 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -2.408 flat angles P-C4'-P energy: -4.110 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: 6, replica: 6 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -20.815031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.815031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.815031 (E_RNA) where: Base-Base interactions energy: 0.554 where: short stacking energy: 0.554 Base-Backbone interact. energy: -0.000 local terms energy: -21.368647 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.574 flat angles C4'-P-C4' energy: -5.693 flat angles P-C4'-P energy: -3.061 tors. eta vs tors. theta energy: -2.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -20.572920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.572920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.572920 (E_RNA) where: Base-Base interactions energy: -4.931 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -15.639236 where: bonds (distance) C4'-P energy: -3.374 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -4.234 flat angles P-C4'-P energy: -3.160 tors. eta vs tors. theta energy: 0.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -20.798401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.798401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.798401 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.796205 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.327 flat angles P-C4'-P energy: -3.903 tors. eta vs tors. theta energy: -1.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -19.515011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.515011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.515011 (E_RNA) where: Base-Base interactions energy: 0.221 where: short stacking energy: 0.221 Base-Backbone interact. energy: -0.000 local terms energy: -19.735815 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -3.477 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: 10, replica: 5 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -18.280352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.280352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.280352 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.280335 where: bonds (distance) C4'-P energy: -3.714 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.557 flat angles P-C4'-P energy: -2.585 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: 1 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -23.712417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.712417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.712417 (E_RNA) where: Base-Base interactions energy: -4.981 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.078 local terms energy: -18.652888 where: bonds (distance) C4'-P energy: -4.297 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -2.322 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: 2, replica: 8 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -20.469566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.469566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.469566 (E_RNA) where: Base-Base interactions energy: -2.803 where: short stacking energy: 0.091 Base-Backbone interact. energy: -0.031 local terms energy: -17.635458 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.734 flat angles P-C4'-P energy: -3.661 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: 3, replica: 2 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -20.109084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.109084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.109084 (E_RNA) where: Base-Base interactions energy: 0.176 where: short stacking energy: 0.176 Base-Backbone interact. energy: -0.000 local terms energy: -20.284699 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.206 flat angles P-C4'-P energy: -3.106 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: 4, replica: 7 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -20.776476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.776476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.776476 (E_RNA) where: Base-Base interactions energy: 0.162 where: short stacking energy: 0.162 Base-Backbone interact. energy: -0.304 local terms energy: -20.634326 where: bonds (distance) C4'-P energy: -4.369 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.657 flat angles P-C4'-P energy: -4.664 tors. eta vs tors. theta energy: -1.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -21.718507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.718507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.718507 (E_RNA) where: Base-Base interactions energy: -3.472 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.052 local terms energy: -18.195004 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.145 flat angles P-C4'-P energy: -4.457 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: 6, replica: 10 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -22.321987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.321987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.321987 (E_RNA) where: Base-Base interactions energy: 0.261 where: short stacking energy: 0.261 Base-Backbone interact. energy: -0.043 local terms energy: -22.539204 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.765 flat angles P-C4'-P energy: -4.449 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: 7, replica: 6 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -18.789160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.789160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.789160 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.248 local terms energy: -18.641046 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -5.783 flat angles P-C4'-P energy: -4.121 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: 8, replica: 9 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -20.229679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.229679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.229679 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -20.169110 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -4.350 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: 3 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -19.545746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.545746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.545746 (E_RNA) where: Base-Base interactions energy: -5.839 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.156 local terms energy: -13.551013 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -2.796 flat angles P-C4'-P energy: -0.087 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: 10, replica: 5 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -18.280272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.280272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.280272 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.279529 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.397 flat angles P-C4'-P energy: -3.218 tors. eta vs tors. theta energy: 0.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -22.801518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.801518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.801518 (E_RNA) where: Base-Base interactions energy: -0.643 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -22.059103 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.381 flat angles P-C4'-P energy: -3.840 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: 2, replica: 1 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -20.199033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.199033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.199033 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.197970 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.564 flat angles P-C4'-P energy: -3.746 tors. eta vs tors. theta energy: -0.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -25.611740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.611740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.611740 (E_RNA) where: Base-Base interactions energy: -5.845 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.088 local terms energy: -19.678026 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -2.650 flat angles P-C4'-P energy: -4.901 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: 2 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -19.532512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.532512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.532512 (E_RNA) where: Base-Base interactions energy: -4.652 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.258 local terms energy: -15.139063 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -3.001 flat angles P-C4'-P energy: -3.726 tors. eta vs tors. theta energy: 2.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -23.223233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.223233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.223233 (E_RNA) where: Base-Base interactions energy: -2.620 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.017 local terms energy: -20.620418 where: bonds (distance) C4'-P energy: -4.832 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.358 flat angles P-C4'-P energy: -4.340 tors. eta vs tors. theta energy: -1.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -20.587740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.587740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.587740 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.587185 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -5.200 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: -1.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -22.202149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.202149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.202149 (E_RNA) where: Base-Base interactions energy: -1.933 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.609 local terms energy: -19.659818 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.748 flat angles P-C4'-P energy: -3.654 tors. eta vs tors. theta energy: -0.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -19.408063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.408063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.408063 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.079 local terms energy: -19.329559 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.970 flat angles P-C4'-P energy: -3.153 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: 9, replica: 5 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -18.477545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.477545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.477545 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.475685 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.562 flat angles P-C4'-P energy: -2.127 tors. eta vs tors. theta energy: -1.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -19.066131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.066131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.066131 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.065 local terms energy: -19.000673 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -3.789 tors. eta vs tors. theta energy: -0.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -21.479877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.479877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.479877 (E_RNA) where: Base-Base interactions energy: -4.193 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -17.202711 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -3.880 flat angles P-C4'-P energy: -4.300 tors. eta vs tors. theta energy: 0.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -21.851852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.851852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.851852 (E_RNA) where: Base-Base interactions energy: -5.569 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.103 local terms energy: -16.179669 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.522 flat angles C4'-P-C4' energy: -2.455 flat angles P-C4'-P energy: -4.752 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: 3, replica: 1 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -19.248386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.248386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.248386 (E_RNA) where: Base-Base interactions energy: -0.707 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.452 local terms energy: -18.994159 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.353 flat angles P-C4'-P energy: -3.393 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: 4 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -23.127348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.127348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.127348 (E_RNA) where: Base-Base interactions energy: -4.699 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.156 local terms energy: -18.271708 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -4.884 flat angles P-C4'-P energy: -4.805 tors. eta vs tors. theta energy: 1.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -24.503877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.503877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.503877 (E_RNA) where: Base-Base interactions energy: -5.046 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.467 local terms energy: -17.990696 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.029 flat angles P-C4'-P energy: -4.171 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: 6, replica: 9 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -19.829391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.829391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.829391 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -19.816373 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.887 flat angles P-C4'-P energy: -4.724 tors. eta vs tors. theta energy: 1.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -19.700102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.700102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.700102 (E_RNA) where: Base-Base interactions energy: -4.469 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.050 local terms energy: -15.180845 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -1.715 flat angles C4'-P-C4' energy: -3.522 flat angles P-C4'-P energy: -4.080 tors. eta vs tors. theta energy: -1.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -19.039143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.039143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.039143 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.039132 where: bonds (distance) C4'-P energy: -4.261 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.416 flat angles P-C4'-P energy: -4.330 tors. eta vs tors. theta energy: -0.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -18.937241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.937241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.937241 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -18.837070 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -2.053 flat angles P-C4'-P energy: -3.554 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: 3 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -20.493887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.493887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.493887 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.493760 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.444 flat angles P-C4'-P energy: -2.694 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: 1, replica: 8 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -21.151932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.151932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.151932 (E_RNA) where: Base-Base interactions energy: -4.177 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.172 local terms energy: -16.803102 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -3.639 flat angles P-C4'-P energy: -4.419 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: 7 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -21.721112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.721112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.721112 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.719519 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -4.265 tors. eta vs tors. theta energy: -0.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -21.334861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.334861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.334861 (E_RNA) where: Base-Base interactions energy: -5.371 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.146 local terms energy: -16.109756 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.490 flat angles P-C4'-P energy: -2.812 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: 4, replica: 1 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -20.622927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.622927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.622927 (E_RNA) where: Base-Base interactions energy: 1.088 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.088 local terms energy: -21.622847 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.850 flat angles P-C4'-P energy: -3.642 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: 9 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -20.254993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.254993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.254993 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.165 local terms energy: -19.090389 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -2.758 tors. eta vs tors. theta energy: -1.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -19.050956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.050956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.050956 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.720 local terms energy: -18.330562 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.993 flat angles P-C4'-P energy: -4.293 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: 7, replica: 5 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -19.392749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.392749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.392749 (E_RNA) where: Base-Base interactions energy: -4.048 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.038 local terms energy: -15.306255 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -2.771 flat angles C4'-P-C4' energy: -4.127 flat angles P-C4'-P energy: -4.178 tors. eta vs tors. theta energy: 1.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -20.557476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.557476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.557476 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.312 local terms energy: -20.245626 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.820 flat angles P-C4'-P energy: -4.280 tors. eta vs tors. theta energy: -0.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -20.271814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.271814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.271814 (E_RNA) where: Base-Base interactions energy: -1.489 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -18.683748 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -2.313 tors. eta vs tors. theta energy: -0.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -18.936437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.936437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.936437 (E_RNA) where: Base-Base interactions energy: -1.515 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.797 local terms energy: -18.218373 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -3.994 flat angles C4'-P-C4' energy: -4.761 flat angles P-C4'-P energy: -4.349 tors. eta vs tors. theta energy: -0.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -21.143913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.143913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.143913 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.042 local terms energy: -21.102340 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -4.293 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: 2, replica: 4 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -21.491796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.491796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.491796 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.192 local terms energy: -21.299521 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.547 flat angles P-C4'-P energy: -4.383 tors. eta vs tors. theta energy: -0.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -20.886460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.886460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.886460 (E_RNA) where: Base-Base interactions energy: -2.056 where: short stacking energy: 0.047 Base-Backbone interact. energy: -0.001 local terms energy: -18.830192 where: bonds (distance) C4'-P energy: -2.816 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.872 flat angles P-C4'-P energy: -3.943 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: 4, replica: 1 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -20.180299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.180299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.180299 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -20.149745 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -4.237 tors. eta vs tors. theta energy: 0.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -20.629506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.629506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.629506 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.033 local terms energy: -20.596197 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.100 flat angles P-C4'-P energy: -3.390 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: 6, replica: 5 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -20.073179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.073179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.073179 (E_RNA) where: Base-Base interactions energy: -3.121 where: short stacking energy: 0.315 Base-Backbone interact. energy: -0.028 local terms energy: -16.923638 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -3.910 tors. eta vs tors. theta energy: 2.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -21.319034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.319034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.319034 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.316800 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.972 flat angles P-C4'-P energy: -4.825 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: 3 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -20.366512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.366512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.366512 (E_RNA) where: Base-Base interactions energy: 0.937 where: short stacking energy: 0.937 Base-Backbone interact. energy: -0.000 local terms energy: -21.303027 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.780 flat angles C4'-P-C4' energy: -5.576 flat angles P-C4'-P energy: -3.890 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: 9, replica: 10 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -18.503484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.503484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.503484 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.503304 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.047 flat angles C4'-P-C4' energy: -5.186 flat angles P-C4'-P energy: -2.656 tors. eta vs tors. theta energy: -0.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -18.112308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.112308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.112308 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.112051 where: bonds (distance) C4'-P energy: -4.240 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.176 flat angles P-C4'-P energy: -4.528 tors. eta vs tors. theta energy: 1.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -21.479814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.479814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.479814 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.479803 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.202 flat angles P-C4'-P energy: -2.977 tors. eta vs tors. theta energy: -2.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -25.165556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.165556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.165556 (E_RNA) where: Base-Base interactions energy: -3.655 where: short stacking energy: 0.361 Base-Backbone interact. energy: -0.081 local terms energy: -21.429187 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -3.835 flat angles P-C4'-P energy: -4.569 tors. eta vs tors. theta energy: -2.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -20.455061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.455061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.455061 (E_RNA) where: Base-Base interactions energy: -2.724 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.133 local terms energy: -17.597907 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.461 flat angles P-C4'-P energy: -4.300 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: 7 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -21.494667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.494667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.494667 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.493877 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -4.207 tors. eta vs tors. theta energy: -1.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -21.647249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.647249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.647249 (E_RNA) where: Base-Base interactions energy: -1.471 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.244 local terms energy: -19.932532 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -2.516 tors. eta vs tors. theta energy: -2.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -20.872008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.872008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.872008 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.871982 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.148 flat angles P-C4'-P energy: -4.704 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: 2 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -21.010364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.010364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.010364 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -21.109968 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -4.173 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: 3 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -18.480804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.480804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.480804 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -18.472047 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -2.992 tors. eta vs tors. theta energy: 0.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -18.198592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.198592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.198592 (E_RNA) where: Base-Base interactions energy: 0.572 where: short stacking energy: 0.572 Base-Backbone interact. energy: -0.049 local terms energy: -18.721238 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.389 flat angles P-C4'-P energy: -1.779 tors. eta vs tors. theta energy: -1.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -19.222087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.222087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.222087 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.221054 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -4.257 tors. eta vs tors. theta energy: 1.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -22.968177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.968177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.968177 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.968177 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -3.912 tors. eta vs tors. theta energy: -2.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -22.178878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.178878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.178878 (E_RNA) where: Base-Base interactions energy: -4.997 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -17.146425 where: bonds (distance) C4'-P energy: -3.644 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -3.238 tors. eta vs tors. theta energy: 0.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -20.636633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.636633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.636633 (E_RNA) where: Base-Base interactions energy: -2.696 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.088 local terms energy: -17.852590 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.469 flat angles P-C4'-P energy: -4.229 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: 4, replica: 5 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -22.296176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.296176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.296176 (E_RNA) where: Base-Base interactions energy: -4.628 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.872 local terms energy: -16.795545 where: bonds (distance) C4'-P energy: -1.549 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.121 flat angles P-C4'-P energy: -4.148 tors. eta vs tors. theta energy: -1.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -21.098615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.098615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.098615 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -21.075410 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.780 flat angles C4'-P-C4' energy: -4.272 flat angles P-C4'-P energy: -4.136 tors. eta vs tors. theta energy: -2.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -21.062862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.062862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.062862 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.062564 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.927 flat angles P-C4'-P energy: -3.558 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: 7, replica: 9 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -20.755252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.755252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.755252 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -20.656148 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.115 flat angles P-C4'-P energy: -4.200 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: 3 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -19.916184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.916184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.916184 (E_RNA) where: Base-Base interactions energy: 0.132 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.006 local terms energy: -20.042923 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.384 flat angles P-C4'-P energy: -3.821 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: 9, replica: 6 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -21.222447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.222447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.222447 (E_RNA) where: Base-Base interactions energy: -2.426 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.026 local terms energy: -18.770410 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.810 flat angles P-C4'-P energy: -2.649 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: 10, replica: 10 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -20.995054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.995054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.995054 (E_RNA) where: Base-Base interactions energy: -5.960 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -15.028793 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.998 flat angles C4'-P-C4' energy: -3.226 flat angles P-C4'-P energy: -3.317 tors. eta vs tors. theta energy: 1.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -23.960894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.960894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.960894 (E_RNA) where: Base-Base interactions energy: -5.576 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -18.382210 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.137 flat angles P-C4'-P energy: -3.073 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: 2, replica: 8 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -24.057254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.057254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.057254 (E_RNA) where: Base-Base interactions energy: -2.554 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.503306 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -4.044 tors. eta vs tors. theta energy: -1.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -20.452958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.452958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.452958 (E_RNA) where: Base-Base interactions energy: 0.500 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.760 local terms energy: -20.193278 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.045 flat angles P-C4'-P energy: -3.789 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: 4, replica: 4 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -21.958521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.958521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.958521 (E_RNA) where: Base-Base interactions energy: -1.183 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -20.681459 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -4.335 tors. eta vs tors. theta energy: -0.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -19.836073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.836073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.836073 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.835041 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.127 flat angles P-C4'-P energy: -4.598 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: 6, replica: 7 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -20.097176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.097176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.097176 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.184 local terms energy: -19.913210 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.071 flat angles P-C4'-P energy: -3.515 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: 7, replica: 9 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -21.290969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.290969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.290969 (E_RNA) where: Base-Base interactions energy: 0.041 where: short stacking energy: 0.041 Base-Backbone interact. energy: -0.082 local terms energy: -21.250026 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.322 flat angles P-C4'-P energy: -2.888 tors. eta vs tors. theta energy: -3.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -19.982014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.982014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.982014 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.980981 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -4.505 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: 10 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -18.158700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.158700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.158700 (E_RNA) where: Base-Base interactions energy: 0.219 where: short stacking energy: 0.219 Base-Backbone interact. energy: -0.001 local terms energy: -18.375939 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -2.787 tors. eta vs tors. theta energy: -0.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -19.001626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.001626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.001626 (E_RNA) where: Base-Base interactions energy: 0.503 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.504350 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.915 flat angles P-C4'-P energy: -3.467 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: 1, replica: 1 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -22.511983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.511983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.511983 (E_RNA) where: Base-Base interactions energy: 0.572 where: short stacking energy: 0.572 Base-Backbone interact. energy: -0.000 local terms energy: -23.083821 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.531 flat angles P-C4'-P energy: -3.226 tors. eta vs tors. theta energy: -4.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -22.276191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.276191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.276191 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.000 local terms energy: -22.476161 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.054 flat angles P-C4'-P energy: -3.510 tors. eta vs tors. theta energy: -2.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -23.540046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.540046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.540046 (E_RNA) where: Base-Base interactions energy: -6.937 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.088 local terms energy: -16.515050 where: bonds (distance) C4'-P energy: -4.377 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.123 flat angles P-C4'-P energy: -1.373 tors. eta vs tors. theta energy: 0.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -21.364753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.364753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.364753 (E_RNA) where: Base-Base interactions energy: -1.701 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.659434 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.996 flat angles P-C4'-P energy: -4.291 tors. eta vs tors. theta energy: -1.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -23.425973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.425973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.425973 (E_RNA) where: Base-Base interactions energy: 0.920 where: short stacking energy: 0.920 Base-Backbone interact. energy: -0.000 local terms energy: -24.346156 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -3.018 tors. eta vs tors. theta energy: -4.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -19.227080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.227080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.227080 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.051 local terms energy: -19.175589 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.945 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -3.932 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: 7, replica: 7 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -21.187316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.187316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.187316 (E_RNA) where: Base-Base interactions energy: -0.496 where: short stacking energy: 0.337 Base-Backbone interact. energy: -0.000 local terms energy: -20.691035 where: bonds (distance) C4'-P energy: -3.490 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.199 flat angles P-C4'-P energy: -3.713 tors. eta vs tors. theta energy: -3.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -19.825449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.825449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.825449 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.825449 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.781 flat angles P-C4'-P energy: -1.858 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: 9, replica: 3 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -20.483577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.483577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.483577 (E_RNA) where: Base-Base interactions energy: -2.575 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.046 local terms energy: -17.863100 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -2.040 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: 131 Temperature: 1.350000 Total energy: -18.402719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.402719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.402719 (E_RNA) where: Base-Base interactions energy: -4.693 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.166 local terms energy: -13.544583 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.565 flat angles P-C4'-P energy: -3.555 tors. eta vs tors. theta energy: 3.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -22.843950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.843950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.843950 (E_RNA) where: Base-Base interactions energy: -4.781 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.066 local terms energy: -17.997712 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.750 flat angles P-C4'-P energy: -4.663 tors. eta vs tors. theta energy: 2.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -25.048313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.048313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.048313 (E_RNA) where: Base-Base interactions energy: -5.831 where: short stacking energy: 0.034 Base-Backbone interact. energy: -0.008 local terms energy: -19.209906 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -3.027 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: 3, replica: 2 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -20.103883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.103883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.103883 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -20.094186 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.590 flat angles P-C4'-P energy: -3.994 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: 4, replica: 5 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -21.747206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.747206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.747206 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.745741 where: bonds (distance) C4'-P energy: -5.714 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.908 flat angles P-C4'-P energy: -3.167 tors. eta vs tors. theta energy: -2.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -20.299421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.299421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.299421 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.299366 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.258 flat angles C4'-P-C4' energy: -5.470 flat angles P-C4'-P energy: -4.694 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: 6, replica: 4 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -20.611000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.611000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.611000 (E_RNA) where: Base-Base interactions energy: -1.996 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -18.548558 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -5.039 flat angles P-C4'-P energy: -2.991 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: 7, replica: 10 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -19.654807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.654807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.654807 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.355 local terms energy: -18.300265 where: bonds (distance) C4'-P energy: -4.057 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -5.508 flat angles P-C4'-P energy: -3.927 tors. eta vs tors. theta energy: -0.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -20.705645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.705645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.705645 (E_RNA) where: Base-Base interactions energy: 0.026 where: short stacking energy: 0.026 Base-Backbone interact. energy: -0.057 local terms energy: -20.674750 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.785 flat angles P-C4'-P energy: -2.971 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: 6 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -19.560830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.560830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.560830 (E_RNA) where: Base-Base interactions energy: -4.628 where: short stacking energy: 0.046 Base-Backbone interact. energy: -0.069 local terms energy: -14.863829 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.084 flat angles P-C4'-P energy: -1.492 tors. eta vs tors. theta energy: 2.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -19.013295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.013295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.013295 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.010134 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -2.553 flat angles P-C4'-P energy: -3.833 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: 1, replica: 8 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -21.243302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.243302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.243302 (E_RNA) where: Base-Base interactions energy: 0.654 where: short stacking energy: 0.654 Base-Backbone interact. energy: -0.000 local terms energy: -21.897284 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.176 flat angles P-C4'-P energy: -3.793 tors. eta vs tors. theta energy: -1.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -21.350211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.350211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.350211 (E_RNA) where: Base-Base interactions energy: -2.555 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.089 local terms energy: -18.706296 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.887 flat angles P-C4'-P energy: -4.337 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: 3, replica: 1 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -22.455083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.455083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.455083 (E_RNA) where: Base-Base interactions energy: -3.530 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -18.905720 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.270 flat angles P-C4'-P energy: -2.608 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: 4, replica: 9 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -20.052705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.052705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.052705 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -19.968998 where: bonds (distance) C4'-P energy: -4.509 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.093 flat angles P-C4'-P energy: -2.688 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: 5, replica: 5 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -19.571069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.571069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.571069 (E_RNA) where: Base-Base interactions energy: -2.210 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.816 local terms energy: -16.544323 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -3.961 flat angles P-C4'-P energy: -4.656 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: 6, replica: 10 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -20.660677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.660677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.660677 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.660665 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.672 flat angles C4'-P-C4' energy: -5.381 flat angles P-C4'-P energy: -3.323 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: 7, replica: 4 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -22.023233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.023233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.023233 (E_RNA) where: Base-Base interactions energy: -5.616 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.109 local terms energy: -16.297959 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.100 flat angles P-C4'-P energy: -3.358 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: 133 Temperature: 1.250000 Total energy: -19.482504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.482504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.482504 (E_RNA) where: Base-Base interactions energy: -2.068 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.025 local terms energy: -17.388771 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -2.471 tors. eta vs tors. theta energy: 1.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -19.710163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.710163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.710163 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -19.698487 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -3.623 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: 10, replica: 3 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -18.390573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.390573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.390573 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.076 local terms energy: -18.314666 where: bonds (distance) C4'-P energy: -3.056 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -4.051 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: 1, replica: 2 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -23.152539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.152539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.152539 (E_RNA) where: Base-Base interactions energy: 0.800 where: short stacking energy: 0.800 Base-Backbone interact. energy: -0.000 local terms energy: -23.952537 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.732 flat angles P-C4'-P energy: -4.055 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: 2, replica: 8 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -22.293390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.293390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.293390 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.293250 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -3.243 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: 3, replica: 9 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -21.894037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.894037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.894037 (E_RNA) where: Base-Base interactions energy: -4.044 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -17.828773 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.938 flat angles P-C4'-P energy: -2.894 tors. eta vs tors. theta energy: 0.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -20.972118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.972118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.972118 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.970344 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -4.618 tors. eta vs tors. theta energy: -0.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -21.518037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.518037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.518037 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.518032 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -2.702 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: 6, replica: 5 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -20.165627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.165627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.165627 (E_RNA) where: Base-Base interactions energy: 0.204 where: short stacking energy: 0.204 Base-Backbone interact. energy: -0.040 local terms energy: -20.329747 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -5.083 flat angles P-C4'-P energy: -3.455 tors. eta vs tors. theta energy: -2.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -21.554159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.554159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.554159 (E_RNA) where: Base-Base interactions energy: 0.797 where: short stacking energy: 0.797 Base-Backbone interact. energy: -0.001 local terms energy: -22.349793 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.741 flat angles P-C4'-P energy: -4.751 tors. eta vs tors. theta energy: -2.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -18.926545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.926545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.926545 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.107 local terms energy: -18.819388 where: bonds (distance) C4'-P energy: -3.349 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.273 flat angles P-C4'-P energy: -4.152 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: 3 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -20.255120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.255120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.255120 (E_RNA) where: Base-Base interactions energy: 0.712 where: short stacking energy: 0.712 Base-Backbone interact. energy: -0.000 local terms energy: -20.966516 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.899 flat angles P-C4'-P energy: -4.251 tors. eta vs tors. theta energy: -0.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -19.062035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.062035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.062035 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.062034 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.834 flat angles P-C4'-P energy: -2.852 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: 2 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -21.041239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.041239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.041239 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -21.027691 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.735 flat angles P-C4'-P energy: -4.712 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: 9 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -21.585415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.585415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.585415 (E_RNA) where: Base-Base interactions energy: 0.034 where: short stacking energy: 0.034 Base-Backbone interact. energy: -0.000 local terms energy: -21.618975 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -4.280 tors. eta vs tors. theta energy: -1.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -21.364840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.364840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.364840 (E_RNA) where: Base-Base interactions energy: -4.757 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -16.511200 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: 2.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -20.873353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.873353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.873353 (E_RNA) where: Base-Base interactions energy: -5.158 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.191 local terms energy: -15.524068 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -4.120 flat angles P-C4'-P energy: -3.337 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: 5, replica: 1 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -20.056368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.056368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.056368 (E_RNA) where: Base-Base interactions energy: -3.069 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.124 local terms energy: -16.863626 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.971 flat angles P-C4'-P energy: -3.119 tors. eta vs tors. theta energy: 1.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -20.728987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.728987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.728987 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.504 local terms energy: -21.232878 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.859 flat angles P-C4'-P energy: -4.648 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: 7, replica: 5 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -21.583905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.583905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.583905 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.583900 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.860 flat angles P-C4'-P energy: -3.431 tors. eta vs tors. theta energy: -3.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -19.664540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.664540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.664540 (E_RNA) where: Base-Base interactions energy: -2.949 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -16.714863 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -3.761 flat angles P-C4'-P energy: -2.541 tors. eta vs tors. theta energy: -0.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -18.770528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.770528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.770528 (E_RNA) where: Base-Base interactions energy: -3.917 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.068 local terms energy: -14.785714 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.843 flat angles P-C4'-P energy: -4.265 tors. eta vs tors. theta energy: 3.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -18.191171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.191171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.191171 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.191171 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.427 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -3.308 tors. eta vs tors. theta energy: 0.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -22.437886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.437886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.437886 (E_RNA) where: Base-Base interactions energy: -1.963 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.475000 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.478 flat angles P-C4'-P energy: -2.671 tors. eta vs tors. theta energy: -2.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -22.496809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.496809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.496809 (E_RNA) where: Base-Base interactions energy: -4.015 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -18.472605 where: bonds (distance) C4'-P energy: -4.289 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -4.188 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: 3, replica: 10 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -22.920456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.920456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.920456 (E_RNA) where: Base-Base interactions energy: -4.980 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.079 local terms energy: -17.861412 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -4.232 flat angles P-C4'-P energy: -0.943 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: 4, replica: 8 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -24.551904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.551904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.551904 (E_RNA) where: Base-Base interactions energy: -6.732 where: short stacking energy: 0.173 Base-Backbone interact. energy: -0.100 local terms energy: -17.719849 where: bonds (distance) C4'-P energy: -4.919 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.344 flat angles P-C4'-P energy: -3.519 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: 5, replica: 6 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -21.566186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.566186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.566186 (E_RNA) where: Base-Base interactions energy: -7.741 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.104 local terms energy: -13.720823 where: bonds (distance) C4'-P energy: -3.155 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -5.556 flat angles P-C4'-P energy: -2.583 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: 6, replica: 1 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -23.694052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.694052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.694052 (E_RNA) where: Base-Base interactions energy: -1.729 where: short stacking energy: 0.053 Base-Backbone interact. energy: -0.000 local terms energy: -21.965184 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.075 flat angles P-C4'-P energy: -3.614 tors. eta vs tors. theta energy: -3.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -18.796315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.796315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.796315 (E_RNA) where: Base-Base interactions energy: -1.330 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.442 local terms energy: -17.908532 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.256 flat angles P-C4'-P energy: -4.152 tors. eta vs tors. theta energy: 0.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -19.740068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.740068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.740068 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -19.730757 where: bonds (distance) C4'-P energy: -3.839 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.246 flat angles P-C4'-P energy: -2.373 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: 7 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -21.196228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.196228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.196228 (E_RNA) where: Base-Base interactions energy: -0.239 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.957389 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.970 flat angles P-C4'-P energy: -4.656 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: 10, replica: 3 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -19.081890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.081890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.081890 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.047 local terms energy: -19.235343 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -4.780 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -3.893 tors. eta vs tors. theta energy: -0.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -22.344146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.344146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.344146 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -22.253375 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -4.032 tors. eta vs tors. theta energy: -2.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -21.773829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.773829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.773829 (E_RNA) where: Base-Base interactions energy: -3.879 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.070 local terms energy: -17.825346 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.974 flat angles P-C4'-P energy: -4.590 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: 3, replica: 2 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -20.923529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.923529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.923529 (E_RNA) where: Base-Base interactions energy: -2.243 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -18.660558 where: bonds (distance) C4'-P energy: -3.826 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.111 flat angles P-C4'-P energy: -3.119 tors. eta vs tors. theta energy: -0.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -22.293364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.293364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.293364 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.293106 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.657 flat angles P-C4'-P energy: -3.064 tors. eta vs tors. theta energy: -3.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -23.589001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.589001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.589001 (E_RNA) where: Base-Base interactions energy: -6.416 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.143 local terms energy: -17.029651 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -5.570 flat angles P-C4'-P energy: -3.189 tors. eta vs tors. theta energy: 1.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -21.289625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.289625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.289625 (E_RNA) where: Base-Base interactions energy: -6.131 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -15.138594 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -2.385 flat angles P-C4'-P energy: -2.874 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: 7, replica: 1 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -21.084915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.084915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.084915 (E_RNA) where: Base-Base interactions energy: -1.511 where: short stacking energy: 0.113 Base-Backbone interact. energy: -0.000 local terms energy: -19.573549 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -3.683 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: -1.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -20.964459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.964459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.964459 (E_RNA) where: Base-Base interactions energy: 0.285 where: short stacking energy: 0.285 Base-Backbone interact. energy: -0.061 local terms energy: -21.188830 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.160 flat angles P-C4'-P energy: -3.670 tors. eta vs tors. theta energy: -1.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -18.232196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.232196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.232196 (E_RNA) where: Base-Base interactions energy: -1.574 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.019 local terms energy: -16.640062 where: bonds (distance) C4'-P energy: -4.281 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -3.990 flat angles P-C4'-P energy: -3.629 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: 10, replica: 3 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -18.156245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.156245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.156245 (E_RNA) where: Base-Base interactions energy: -2.858 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.104 local terms energy: -15.194802 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -2.049 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: 1, replica: 10 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -20.940770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.940770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.940770 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -20.919938 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.393 flat angles P-C4'-P energy: -4.090 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: 2, replica: 9 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -22.583574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.583574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.583574 (E_RNA) where: Base-Base interactions energy: -4.290 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -18.267212 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -3.167 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: 3, replica: 6 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -21.364648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.364648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.364648 (E_RNA) where: Base-Base interactions energy: 0.104 where: short stacking energy: 0.104 Base-Backbone interact. energy: -0.084 local terms energy: -21.384663 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -3.600 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: 4, replica: 2 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -20.996700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.996700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.996700 (E_RNA) where: Base-Base interactions energy: -5.164 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -15.732790 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.137 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: 3.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -26.407285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.407285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.407285 (E_RNA) where: Base-Base interactions energy: -4.472 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.079 local terms energy: -21.855801 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.215 flat angles P-C4'-P energy: -4.190 tors. eta vs tors. theta energy: -2.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -18.790090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.790090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.790090 (E_RNA) where: Base-Base interactions energy: -3.758 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -15.031662 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -2.982 flat angles P-C4'-P energy: -3.604 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: 7 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -22.807700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.807700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.807700 (E_RNA) where: Base-Base interactions energy: -4.544 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.038 local terms energy: -18.226085 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.315 flat angles P-C4'-P energy: -3.570 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: 8, replica: 1 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -19.334302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.334302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.334302 (E_RNA) where: Base-Base interactions energy: -2.777 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.073 local terms energy: -16.484141 where: bonds (distance) C4'-P energy: -5.506 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.973 flat angles P-C4'-P energy: -2.195 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: 9, replica: 3 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -19.848781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.848781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.848781 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -19.788197 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.097 flat angles P-C4'-P energy: -3.903 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: 10, replica: 5 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -18.949366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.949366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.949366 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.011 local terms energy: -18.960305 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.975 flat angles P-C4'-P energy: -3.653 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: 10 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -24.122813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.122813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.122813 (E_RNA) where: Base-Base interactions energy: -5.578 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.250 local terms energy: -17.294497 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -3.558 tors. eta vs tors. theta energy: 2.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -21.831793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.831793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.831793 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -21.731698 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.558 flat angles P-C4'-P energy: -3.531 tors. eta vs tors. theta energy: -1.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -21.043250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.043250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.043250 (E_RNA) where: Base-Base interactions energy: -4.283 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -16.749782 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -4.310 flat angles P-C4'-P energy: -3.802 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: 4 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -20.740798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.740798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.740798 (E_RNA) where: Base-Base interactions energy: -2.855 where: short stacking energy: 0.389 Base-Backbone interact. energy: -0.045 local terms energy: -17.840137 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.029 flat angles C4'-P-C4' energy: -5.075 flat angles P-C4'-P energy: -2.299 tors. eta vs tors. theta energy: -0.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -21.297619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.297619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.297619 (E_RNA) where: Base-Base interactions energy: 0.043 where: short stacking energy: 1.200 Base-Backbone interact. energy: -0.018 local terms energy: -21.322240 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.552 flat angles P-C4'-P energy: -4.483 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: 6, replica: 7 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -20.823218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.823218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.823218 (E_RNA) where: Base-Base interactions energy: -1.828 where: short stacking energy: 0.900 Base-Backbone interact. energy: -0.002 local terms energy: -18.992988 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -4.000 flat angles P-C4'-P energy: -3.586 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: 7, replica: 8 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -18.650179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.650179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.650179 (E_RNA) where: Base-Base interactions energy: -2.364 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.118 local terms energy: -16.168252 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -3.905 flat angles P-C4'-P energy: -3.357 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: 139 Temperature: 1.250000 Total energy: -18.882933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.882933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.882933 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -18.877712 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.230 flat angles P-C4'-P energy: -2.890 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: 1 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -19.140328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.140328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.140328 (E_RNA) where: Base-Base interactions energy: -0.286 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.854168 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.294 flat angles P-C4'-P energy: -3.923 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: 5 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -19.428403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.428403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.428403 (E_RNA) where: Base-Base interactions energy: 0.026 where: short stacking energy: 0.026 Base-Backbone interact. energy: -0.111 local terms energy: -19.343157 where: bonds (distance) C4'-P energy: -3.909 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -3.375 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: 1, replica: 6 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -21.945772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.945772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.945772 (E_RNA) where: Base-Base interactions energy: -1.171 where: short stacking energy: 0.069 Base-Backbone interact. energy: -0.001 local terms energy: -20.773894 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -3.888 tors. eta vs tors. theta energy: -0.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -21.824486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.824486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.824486 (E_RNA) where: Base-Base interactions energy: -3.689 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -18.130714 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -3.304 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: 4 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -21.666392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.666392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.666392 (E_RNA) where: Base-Base interactions energy: -1.785 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.036 local terms energy: -19.845634 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -3.792 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: 4, replica: 9 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -21.023056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.023056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.023056 (E_RNA) where: Base-Base interactions energy: -2.861 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -18.065033 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -4.837 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: 0.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -20.319791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.319791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.319791 (E_RNA) where: Base-Base interactions energy: -4.103 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.106 local terms energy: -16.111023 where: bonds (distance) C4'-P energy: -3.607 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -2.666 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: 6, replica: 7 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -20.223537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.223537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.223537 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -20.124654 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.813 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: -0.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -18.199094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.199094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.199094 (E_RNA) where: Base-Base interactions energy: 0.050 where: short stacking energy: 0.050 Base-Backbone interact. energy: -0.030 local terms energy: -18.219649 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.991 flat angles P-C4'-P energy: -2.894 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: 8, replica: 8 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -21.247163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.247163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.247163 (E_RNA) where: Base-Base interactions energy: -4.763 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.044 local terms energy: -16.439989 where: bonds (distance) C4'-P energy: -2.949 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -4.744 flat angles P-C4'-P energy: -2.892 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: 9, replica: 5 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -18.715267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.715267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.715267 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.060 local terms energy: -18.655099 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.033 flat angles P-C4'-P energy: -2.337 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: 10, replica: 1 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -20.476672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.476672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.476672 (E_RNA) where: Base-Base interactions energy: 0.421 where: short stacking energy: 0.421 Base-Backbone interact. energy: -0.000 local terms energy: -20.897422 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.002 flat angles P-C4'-P energy: -2.769 tors. eta vs tors. theta energy: -1.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -21.704186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.704186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.704186 (E_RNA) where: Base-Base interactions energy: -2.821 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -18.877367 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.559 flat angles P-C4'-P energy: -2.865 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: 2, replica: 4 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -24.605742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.605742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.605742 (E_RNA) where: Base-Base interactions energy: -3.983 where: short stacking energy: 0.104 Base-Backbone interact. energy: -0.001 local terms energy: -20.622632 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.100 flat angles P-C4'-P energy: -1.685 tors. eta vs tors. theta energy: -3.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -21.069150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.069150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.069150 (E_RNA) where: Base-Base interactions energy: -4.328 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.632 local terms energy: -17.372791 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -4.123 tors. eta vs tors. theta energy: 1.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -21.208034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.208034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.208034 (E_RNA) where: Base-Base interactions energy: -1.835 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -19.274098 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -3.432 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: 9 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -20.208561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.208561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.208561 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -20.198879 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.704 flat angles P-C4'-P energy: -2.705 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: 6, replica: 3 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -24.040901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.040901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.040901 (E_RNA) where: Base-Base interactions energy: 0.173 where: short stacking energy: 0.173 Base-Backbone interact. energy: -0.000 local terms energy: -24.214235 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.612 flat angles P-C4'-P energy: -3.808 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: 7, replica: 7 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -19.934215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.934215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.934215 (E_RNA) where: Base-Base interactions energy: 0.474 where: short stacking energy: 0.474 Base-Backbone interact. energy: -0.000 local terms energy: -20.408610 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.516 flat angles P-C4'-P energy: -2.757 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: 8, replica: 5 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -19.271524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.271524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.271524 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -19.173180 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.734 flat angles P-C4'-P energy: -4.245 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: 9, replica: 8 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -19.457942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.457942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.457942 (E_RNA) where: Base-Base interactions energy: -1.130 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.113 local terms energy: -18.215051 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.385 flat angles C4'-P-C4' energy: -5.401 flat angles P-C4'-P energy: -4.532 tors. eta vs tors. theta energy: 1.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -19.005615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.005615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.005615 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.087 local terms energy: -18.918848 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -2.736 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: 1, replica: 4 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -23.017709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.017709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.017709 (E_RNA) where: Base-Base interactions energy: -6.260 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.129 local terms energy: -16.628797 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.267 flat angles P-C4'-P energy: -3.806 tors. eta vs tors. theta energy: 2.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -20.591846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.591846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.591846 (E_RNA) where: Base-Base interactions energy: -0.002 where: short stacking energy: 0.000 Base-Backbone interact. energy: -2.042 local terms energy: -18.547035 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -4.232 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: 3, replica: 2 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -22.811203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.811203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.811203 (E_RNA) where: Base-Base interactions energy: -1.733 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.165 local terms energy: -21.243204 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.092 flat angles P-C4'-P energy: -4.409 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: 4, replica: 10 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -19.888091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.888091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.888091 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -19.795480 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.069 flat angles P-C4'-P energy: -4.370 tors. eta vs tors. theta energy: 0.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -22.603629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.603629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.603629 (E_RNA) where: Base-Base interactions energy: -3.278 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.089 local terms energy: -19.236923 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.891 flat angles P-C4'-P energy: -3.488 tors. eta vs tors. theta energy: 0.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -19.862813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.862813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.862813 (E_RNA) where: Base-Base interactions energy: -3.296 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -16.539786 where: bonds (distance) C4'-P energy: -2.434 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.907 flat angles P-C4'-P energy: -4.190 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: 7, replica: 5 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -20.912649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.912649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.912649 (E_RNA) where: Base-Base interactions energy: -5.553 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -15.328696 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.133 flat angles P-C4'-P energy: -3.006 tors. eta vs tors. theta energy: 2.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -20.825934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.825934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.825934 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.825742 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -2.687 flat angles P-C4'-P energy: -3.540 tors. eta vs tors. theta energy: -4.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -21.162264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.162264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.162264 (E_RNA) where: Base-Base interactions energy: -4.163 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -16.971278 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -4.386 flat angles P-C4'-P energy: -3.113 tors. eta vs tors. theta energy: 0.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -18.688753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.688753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.688753 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -18.673748 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.991 flat angles P-C4'-P energy: -2.770 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: 1, replica: 4 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -21.455428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.455428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.455428 (E_RNA) where: Base-Base interactions energy: -1.350 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.077 local terms energy: -20.027938 where: bonds (distance) C4'-P energy: -3.995 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.331 flat angles P-C4'-P energy: -4.476 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: 2, replica: 2 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -21.634376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.634376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.634376 (E_RNA) where: Base-Base interactions energy: 0.497 where: short stacking energy: 0.497 Base-Backbone interact. energy: -0.007 local terms energy: -22.123712 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.523 flat angles P-C4'-P energy: -3.981 tors. eta vs tors. theta energy: -1.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -22.557143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.557143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.557143 (E_RNA) where: Base-Base interactions energy: -2.949 where: short stacking energy: 0.500 Base-Backbone interact. energy: -0.216 local terms energy: -19.393036 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.692 flat angles P-C4'-P energy: -3.955 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: 4, replica: 3 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -22.535536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.535536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.535536 (E_RNA) where: Base-Base interactions energy: -2.363 where: short stacking energy: 0.506 Base-Backbone interact. energy: -0.589 local terms energy: -19.583688 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.491 flat angles P-C4'-P energy: -3.745 tors. eta vs tors. theta energy: -1.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -18.939255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.939255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.939255 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.043 local terms energy: -18.895767 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -2.910 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: 5 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -18.948713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.948713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.948713 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -18.851283 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -3.927 flat angles C4'-P-C4' energy: -4.154 flat angles P-C4'-P energy: -3.592 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: 7, replica: 9 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -19.155863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.155863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.155863 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.155109 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.734 flat angles P-C4'-P energy: -2.867 tors. eta vs tors. theta energy: -1.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -21.287310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.287310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.287310 (E_RNA) where: Base-Base interactions energy: -5.994 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.051 local terms energy: -15.241558 where: bonds (distance) C4'-P energy: -3.826 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -3.774 flat angles P-C4'-P energy: -2.995 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: 9, replica: 7 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -21.595963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.595963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.595963 (E_RNA) where: Base-Base interactions energy: -1.783 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.396 local terms energy: -19.417077 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.087 flat angles P-C4'-P energy: -2.464 tors. eta vs tors. theta energy: -1.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -18.968558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.968558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.968558 (E_RNA) where: Base-Base interactions energy: -5.642 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.101 local terms energy: -13.224744 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.319 flat angles P-C4'-P energy: 0.475 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: 1, replica: 2 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -22.297956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.297956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.297956 (E_RNA) where: Base-Base interactions energy: -4.280 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.166 local terms energy: -17.851685 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.409 flat angles P-C4'-P energy: -3.746 tors. eta vs tors. theta energy: 1.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -21.311325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.311325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.311325 (E_RNA) where: Base-Base interactions energy: -5.434 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.113 local terms energy: -15.763633 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -2.985 flat angles P-C4'-P energy: -3.477 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: 3, replica: 3 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -21.972320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.972320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.972320 (E_RNA) where: Base-Base interactions energy: 0.203 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.076 local terms energy: -22.099154 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -4.510 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: -2.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -20.349462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.349462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.349462 (E_RNA) where: Base-Base interactions energy: -1.098 where: short stacking energy: 0.900 Base-Backbone interact. energy: -0.009 local terms energy: -19.242442 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -4.238 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: 5 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -18.760963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.760963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.760963 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -18.756408 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.661 flat angles P-C4'-P energy: -3.789 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: 6, replica: 10 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -19.827890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.827890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.827890 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -19.819629 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.311 flat angles P-C4'-P energy: -3.812 tors. eta vs tors. theta energy: -0.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -20.661228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.661228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.661228 (E_RNA) where: Base-Base interactions energy: -3.157 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -17.502831 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -2.372 flat angles P-C4'-P energy: -2.680 tors. eta vs tors. theta energy: -2.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -19.771174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.771174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.771174 (E_RNA) where: Base-Base interactions energy: -4.111 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.057 local terms energy: -15.602603 where: bonds (distance) C4'-P energy: -3.839 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.887 flat angles P-C4'-P energy: -2.566 tors. eta vs tors. theta energy: 0.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -18.462925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.462925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.462925 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.064 local terms energy: -18.398699 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.367 flat angles P-C4'-P energy: -4.513 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: 10, replica: 7 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -21.366109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.366109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.366109 (E_RNA) where: Base-Base interactions energy: -1.626 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -19.720246 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.099 flat angles P-C4'-P energy: -3.592 tors. eta vs tors. theta energy: -0.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -22.725326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.725326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.725326 (E_RNA) where: Base-Base interactions energy: -4.212 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.609 local terms energy: -17.904118 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.055 flat angles P-C4'-P energy: -3.884 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: 2, replica: 3 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -21.729717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.729717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.729717 (E_RNA) where: Base-Base interactions energy: -1.846 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.674 local terms energy: -19.209073 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.923 flat angles P-C4'-P energy: -3.903 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: 3, replica: 4 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -21.493819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.493819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.493819 (E_RNA) where: Base-Base interactions energy: -5.849 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.140 local terms energy: -15.505226 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.912 flat angles P-C4'-P energy: -1.792 tors. eta vs tors. theta energy: 0.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -20.333581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.333581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.333581 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -20.319834 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -3.508 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: 5, replica: 6 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -21.386095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.386095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.386095 (E_RNA) where: Base-Base interactions energy: 0.622 where: short stacking energy: 0.622 Base-Backbone interact. energy: -0.006 local terms energy: -22.001607 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -3.966 tors. eta vs tors. theta energy: -1.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -20.421663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.421663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.421663 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -20.414987 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.377 flat angles P-C4'-P energy: -3.300 tors. eta vs tors. theta energy: -1.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -19.667983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.667983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.667983 (E_RNA) where: Base-Base interactions energy: -1.581 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.175 local terms energy: -17.912489 where: bonds (distance) C4'-P energy: -3.271 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -4.046 tors. eta vs tors. theta energy: 0.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -18.479621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.479621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.479621 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -18.418923 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.369 flat angles P-C4'-P energy: -4.221 tors. eta vs tors. theta energy: 1.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -19.339405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.339405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.339405 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.004 local terms energy: -19.635341 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.097 flat angles P-C4'-P energy: -3.157 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: 7 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -19.027865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.027865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.027865 (E_RNA) where: Base-Base interactions energy: 0.865 where: short stacking energy: 0.865 Base-Backbone interact. energy: -0.000 local terms energy: -19.893072 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.681 flat angles P-C4'-P energy: -1.678 tors. eta vs tors. theta energy: -2.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -21.559450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.559450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.559450 (E_RNA) where: Base-Base interactions energy: -5.311 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -16.236120 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -3.022 flat angles P-C4'-P energy: -3.537 tors. eta vs tors. theta energy: 0.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -20.825171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.825171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.825171 (E_RNA) where: Base-Base interactions energy: -0.624 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.129 local terms energy: -20.072022 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -1.421 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: 5 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -19.976115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.976115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.976115 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.082 local terms energy: -19.893751 where: bonds (distance) C4'-P energy: -4.860 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -3.251 tors. eta vs tors. theta energy: -0.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -23.395647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.395647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.395647 (E_RNA) where: Base-Base interactions energy: -2.163 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.086 local terms energy: -21.147317 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.840 flat angles P-C4'-P energy: -3.369 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: 5, replica: 1 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -19.134031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.134031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.134031 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.235 local terms energy: -18.899058 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.263 flat angles P-C4'-P energy: -4.098 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: 6, replica: 6 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -21.361015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.361015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.361015 (E_RNA) where: Base-Base interactions energy: -4.904 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -16.443554 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.518 flat angles P-C4'-P energy: -4.282 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: 7, replica: 8 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -18.873156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.873156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.873156 (E_RNA) where: Base-Base interactions energy: -2.269 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -16.597952 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.180 flat angles P-C4'-P energy: -2.910 tors. eta vs tors. theta energy: 0.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -22.509620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.509620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.509620 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -22.500649 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -2.921 tors. eta vs tors. theta energy: -3.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -18.496952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.496952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.496952 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.496945 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -3.550 flat angles P-C4'-P energy: -3.305 tors. eta vs tors. theta energy: -2.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -18.513041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.513041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.513041 (E_RNA) where: Base-Base interactions energy: 0.325 where: short stacking energy: 0.325 Base-Backbone interact. energy: -0.001 local terms energy: -18.837580 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.739 flat angles P-C4'-P energy: -2.499 tors. eta vs tors. theta energy: -1.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -23.704245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.704245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.704245 (E_RNA) where: Base-Base interactions energy: -5.977 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.036 local terms energy: -17.691129 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -3.543 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: 147 Temperature: 0.950000 Total energy: -20.909817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.909817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.909817 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -20.811345 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -4.797 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: 3, replica: 2 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -23.447821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.447821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.447821 (E_RNA) where: Base-Base interactions energy: -4.451 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.117 local terms energy: -18.879658 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.533 flat angles P-C4'-P energy: -2.370 tors. eta vs tors. theta energy: -2.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -21.887462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.887462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.887462 (E_RNA) where: Base-Base interactions energy: 0.166 where: short stacking energy: 0.166 Base-Backbone interact. energy: -0.000 local terms energy: -22.053848 where: bonds (distance) C4'-P energy: -5.714 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -4.017 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: 5, replica: 4 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -20.373493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.373493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.373493 (E_RNA) where: Base-Base interactions energy: -1.253 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.489 local terms energy: -18.631345 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -5.183 flat angles P-C4'-P energy: -4.306 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: 6, replica: 8 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -18.404248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.404248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.404248 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.264 local terms energy: -18.140458 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.372 flat angles P-C4'-P energy: -3.273 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: 7, replica: 6 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -20.682507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.682507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.682507 (E_RNA) where: Base-Base interactions energy: -6.110 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.491 local terms energy: -13.081350 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.262 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -1.124 tors. eta vs tors. theta energy: 1.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -19.561917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.561917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.561917 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.089 local terms energy: -19.473228 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -3.605 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: 9, replica: 10 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -20.276099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.276099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.276099 (E_RNA) where: Base-Base interactions energy: 0.077 where: short stacking energy: 0.077 Base-Backbone interact. energy: -0.010 local terms energy: -20.342681 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -5.417 flat angles P-C4'-P energy: -3.821 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: 10, replica: 9 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -19.755666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.755666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.755666 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.755361 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.069 flat angles P-C4'-P energy: -3.480 tors. eta vs tors. theta energy: -0.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -24.674899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.674899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.674899 (E_RNA) where: Base-Base interactions energy: -5.794 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.050 local terms energy: -18.831079 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -2.685 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: 3 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -20.863651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.863651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.863651 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.863647 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -2.736 flat angles P-C4'-P energy: -3.661 tors. eta vs tors. theta energy: -3.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -21.703245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.703245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.703245 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -21.693965 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.235 flat angles P-C4'-P energy: -4.151 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: 4, replica: 2 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -20.937167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.937167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.937167 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.179 local terms energy: -20.758171 where: bonds (distance) C4'-P energy: -3.684 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.819 flat angles P-C4'-P energy: -3.374 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: 5, replica: 8 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -19.834827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.834827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.834827 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.047 local terms energy: -19.787551 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -3.811 flat angles P-C4'-P energy: -4.335 tors. eta vs tors. theta energy: -1.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -19.464070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.464070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.464070 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -19.370418 where: bonds (distance) C4'-P energy: -3.607 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.702 flat angles P-C4'-P energy: -4.201 tors. eta vs tors. theta energy: -2.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -18.896769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.896769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.896769 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.279 local terms energy: -18.617449 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -4.495 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: 8, replica: 6 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -19.851417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.851417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.851417 (E_RNA) where: Base-Base interactions energy: -4.876 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.237 local terms energy: -14.737711 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.817 flat angles P-C4'-P energy: -3.145 tors. eta vs tors. theta energy: 4.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -19.813410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.813410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.813410 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.811346 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -4.076 tors. eta vs tors. theta energy: 0.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -20.173055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.173055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.173055 (E_RNA) where: Base-Base interactions energy: -1.245 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.102 local terms energy: -17.826993 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.334 flat angles P-C4'-P energy: -3.934 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: 1, replica: 5 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -20.195028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.195028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.195028 (E_RNA) where: Base-Base interactions energy: -3.023 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -17.164597 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.654 flat angles P-C4'-P energy: -2.267 tors. eta vs tors. theta energy: -0.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -20.822253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.822253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.822253 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.820118 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -4.568 tors. eta vs tors. theta energy: -0.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -23.609099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.609099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.609099 (E_RNA) where: Base-Base interactions energy: -4.393 where: short stacking energy: 0.435 Base-Backbone interact. energy: -0.004 local terms energy: -19.212131 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.589 flat angles P-C4'-P energy: -2.859 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: 4, replica: 8 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -19.648482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.648482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.648482 (E_RNA) where: Base-Base interactions energy: -0.107 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.078 local terms energy: -19.463450 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -3.949 flat angles P-C4'-P energy: -2.942 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: 5, replica: 2 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -21.691430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.691430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.691430 (E_RNA) where: Base-Base interactions energy: -4.133 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.112 local terms energy: -17.446158 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.099 flat angles P-C4'-P energy: -3.344 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: 6, replica: 7 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -21.625357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.625357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.625357 (E_RNA) where: Base-Base interactions energy: -2.936 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -18.671375 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -4.568 flat angles P-C4'-P energy: -4.522 tors. eta vs tors. theta energy: 0.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -20.281298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.281298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.281298 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.275773 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.309 flat angles P-C4'-P energy: -2.571 tors. eta vs tors. theta energy: -2.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -18.406151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.406151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.406151 (E_RNA) where: Base-Base interactions energy: -4.105 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -14.269925 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -3.762 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: 4.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -22.284463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.284463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.284463 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.284378 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.137 flat angles P-C4'-P energy: -3.569 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: 10, replica: 10 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -19.007184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.007184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.007184 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.005462 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -3.761 tors. eta vs tors. theta energy: 0.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -20.434824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.434824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.434824 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -20.406087 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.708 flat angles P-C4'-P energy: -4.044 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: 2, replica: 5 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -21.622325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.622325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.622325 (E_RNA) where: Base-Base interactions energy: -5.057 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -16.542948 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.126 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: 2.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -23.078986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.078986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.078986 (E_RNA) where: Base-Base interactions energy: -10.120 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.066 local terms energy: -12.893054 where: bonds (distance) C4'-P energy: -3.830 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -3.137 tors. eta vs tors. theta energy: 4.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -22.185883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.185883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.185883 (E_RNA) where: Base-Base interactions energy: -4.493 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -17.679071 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.039 flat angles P-C4'-P energy: -3.794 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: 5, replica: 7 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -20.207564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.207564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.207564 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.201292 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -3.225 tors. eta vs tors. theta energy: -0.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -20.789104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.789104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.789104 (E_RNA) where: Base-Base interactions energy: -4.721 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.045 local terms energy: -16.022990 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -2.553 flat angles P-C4'-P energy: -4.066 tors. eta vs tors. theta energy: 1.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -21.081581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.081581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.081581 (E_RNA) where: Base-Base interactions energy: 0.271 where: short stacking energy: 0.271 Base-Backbone interact. energy: -0.000 local terms energy: -21.352426 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.199 flat angles P-C4'-P energy: -2.787 tors. eta vs tors. theta energy: -3.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -19.560109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.560109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.560109 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.073 local terms energy: -19.486622 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.056 flat angles P-C4'-P energy: -3.536 tors. eta vs tors. theta energy: -0.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -19.050700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.050700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.050700 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -19.042667 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -4.713 tors. eta vs tors. theta energy: 2.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -19.901441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.901441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.901441 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -19.804566 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.935 flat angles P-C4'-P energy: -4.424 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: 1, replica: 1 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -22.727658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.727658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.727658 (E_RNA) where: Base-Base interactions energy: 0.197 where: short stacking energy: 0.197 Base-Backbone interact. energy: -0.000 local terms energy: -22.924694 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.062 flat angles P-C4'-P energy: -3.795 tors. eta vs tors. theta energy: -2.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -21.267635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.267635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.267635 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -21.238005 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -3.805 tors. eta vs tors. theta energy: -1.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -21.710048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.710048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.710048 (E_RNA) where: Base-Base interactions energy: 0.093 where: short stacking energy: 0.093 Base-Backbone interact. energy: -0.038 local terms energy: -21.765294 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -4.578 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: 4, replica: 7 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -20.766124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.766124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.766124 (E_RNA) where: Base-Base interactions energy: -5.348 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -15.396453 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.160 flat angles C4'-P-C4' energy: -4.056 flat angles P-C4'-P energy: -3.923 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: 5, replica: 3 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -18.986622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.986622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.986622 (E_RNA) where: Base-Base interactions energy: 0.049 where: short stacking energy: 0.049 Base-Backbone interact. energy: -0.005 local terms energy: -19.030226 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -4.712 tors. eta vs tors. theta energy: 1.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -19.733982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.733982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.733982 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.463 local terms energy: -19.271354 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.893 flat angles P-C4'-P energy: -3.007 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: 7, replica: 2 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -20.779917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.779917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.779917 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.779916 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.202 flat angles C4'-P-C4' energy: -5.293 flat angles P-C4'-P energy: -3.205 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: 8, replica: 10 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -19.729658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.729658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.729658 (E_RNA) where: Base-Base interactions energy: -3.755 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -15.974041 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -3.635 flat angles C4'-P-C4' energy: -2.820 flat angles P-C4'-P energy: -3.704 tors. eta vs tors. theta energy: -0.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -20.989532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.989532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.989532 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.989435 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -2.924 tors. eta vs tors. theta energy: -3.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -19.302896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.302896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.302896 (E_RNA) where: Base-Base interactions energy: -2.053 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.206 local terms energy: -17.043791 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.381 flat angles C4'-P-C4' energy: -4.419 flat angles P-C4'-P energy: -4.091 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: 1 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -21.915729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.915729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.915729 (E_RNA) where: Base-Base interactions energy: -3.469 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.054 local terms energy: -18.392588 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.270 flat angles P-C4'-P energy: -3.173 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: 2, replica: 8 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -21.018894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.018894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.018894 (E_RNA) where: Base-Base interactions energy: -3.370 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.119 local terms energy: -17.529655 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.972 flat angles P-C4'-P energy: -3.058 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: 3, replica: 7 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -21.969975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.969975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.969975 (E_RNA) where: Base-Base interactions energy: -0.509 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.633 local terms energy: -20.827836 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -3.391 tors. eta vs tors. theta energy: -1.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -24.252384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.252384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.252384 (E_RNA) where: Base-Base interactions energy: -5.471 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -18.681793 where: bonds (distance) C4'-P energy: -3.747 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -4.087 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: 5, replica: 9 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -21.781630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.781630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.781630 (E_RNA) where: Base-Base interactions energy: -3.311 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.131 local terms energy: -18.339487 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.615 flat angles P-C4'-P energy: -3.500 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: 3 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -22.480745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.480745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.480745 (E_RNA) where: Base-Base interactions energy: -4.414 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.113 local terms energy: -17.954366 where: bonds (distance) C4'-P energy: -4.281 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.100 flat angles P-C4'-P energy: -0.129 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: 7, replica: 10 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -19.581822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.581822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.581822 (E_RNA) where: Base-Base interactions energy: -5.692 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.138 local terms energy: -13.751832 where: bonds (distance) C4'-P energy: -3.018 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -2.920 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: 8, replica: 2 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -19.172388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.172388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.172388 (E_RNA) where: Base-Base interactions energy: -1.743 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -17.415610 where: bonds (distance) C4'-P energy: -2.816 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -3.226 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: 9, replica: 6 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -19.738865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.738865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.738865 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -19.638928 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.607 flat angles P-C4'-P energy: -3.434 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: 10, replica: 4 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -19.208035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.208035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.208035 (E_RNA) where: Base-Base interactions energy: 0.232 where: short stacking energy: 0.232 Base-Backbone interact. energy: -0.000 local terms energy: -19.440033 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -3.053 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: 1, replica: 1 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -22.860195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.860195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.860195 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.860193 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.168 flat angles P-C4'-P energy: -3.696 tors. eta vs tors. theta energy: -3.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -20.160057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.160057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.160057 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.124 local terms energy: -19.036232 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.077 flat angles P-C4'-P energy: -3.789 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: 3, replica: 8 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -22.116297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.116297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.116297 (E_RNA) where: Base-Base interactions energy: -2.581 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.531441 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.178 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -4.010 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: 4, replica: 9 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -21.352116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.352116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.352116 (E_RNA) where: Base-Base interactions energy: 0.159 where: short stacking energy: 0.159 Base-Backbone interact. energy: -0.001 local terms energy: -21.510618 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.030 flat angles P-C4'-P energy: -2.872 tors. eta vs tors. theta energy: -3.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -21.594717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.594717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.594717 (E_RNA) where: Base-Base interactions energy: -2.204 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.390129 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.737 flat angles P-C4'-P energy: -2.416 tors. eta vs tors. theta energy: -2.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -23.272110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.272110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.272110 (E_RNA) where: Base-Base interactions energy: -4.747 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.136 local terms energy: -17.389614 where: bonds (distance) C4'-P energy: -4.244 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.075 flat angles P-C4'-P energy: -3.659 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: 7, replica: 3 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -20.020818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.020818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.020818 (E_RNA) where: Base-Base interactions energy: 0.512 where: short stacking energy: 0.512 Base-Backbone interact. energy: -0.001 local terms energy: -20.532184 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -3.424 tors. eta vs tors. theta energy: -1.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -22.356096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.356096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.356096 (E_RNA) where: Base-Base interactions energy: -4.210 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -18.135919 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -4.188 flat angles C4'-P-C4' energy: -5.609 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: 0.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -20.411863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.411863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.411863 (E_RNA) where: Base-Base interactions energy: -0.263 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.056 local terms energy: -20.093364 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.469 flat angles P-C4'-P energy: -4.294 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: 10, replica: 4 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -18.724020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.724020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.724020 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.000 local terms energy: -19.123742 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.058 flat angles P-C4'-P energy: -4.025 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: 1, replica: 7 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -22.278511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.278511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.278511 (E_RNA) where: Base-Base interactions energy: -0.816 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -21.452743 where: bonds (distance) C4'-P energy: -3.818 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.093 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: -2.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -21.082645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.082645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.082645 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -20.984048 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.810 flat angles P-C4'-P energy: -3.097 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: 3, replica: 9 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -20.471378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.471378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.471378 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.055 local terms energy: -20.416845 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.078 flat angles P-C4'-P energy: -3.648 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: 4, replica: 8 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -20.216616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.216616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.216616 (E_RNA) where: Base-Base interactions energy: -1.849 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.623 local terms energy: -17.744198 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.484 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: 0.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -19.058389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.058389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.058389 (E_RNA) where: Base-Base interactions energy: -2.001 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -17.049658 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -2.245 flat angles P-C4'-P energy: -4.400 tors. eta vs tors. theta energy: 0.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -19.997419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.997419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.997419 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.153 local terms energy: -19.844899 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.062 flat angles P-C4'-P energy: -4.337 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: 7, replica: 6 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -20.406171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.406171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.406171 (E_RNA) where: Base-Base interactions energy: -2.763 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -17.631708 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.084 flat angles P-C4'-P energy: -3.279 tors. eta vs tors. theta energy: 1.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -19.890045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.890045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.890045 (E_RNA) where: Base-Base interactions energy: -5.596 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.456 local terms energy: -14.750056 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.312 flat angles P-C4'-P energy: -2.260 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: 9, replica: 4 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -19.742042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.742042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.742042 (E_RNA) where: Base-Base interactions energy: -2.601 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.167 local terms energy: -16.974493 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.863 flat angles P-C4'-P energy: -2.877 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: 2 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -18.871966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.871966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.871966 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.870165 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -4.207 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: 7 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -21.917730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.917730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.917730 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.101 local terms energy: -21.816464 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.563 flat angles P-C4'-P energy: -3.719 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: 2, replica: 9 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -20.253714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.253714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.253714 (E_RNA) where: Base-Base interactions energy: -3.668 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.062 local terms energy: -16.523939 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.907 flat angles P-C4'-P energy: -2.134 tors. eta vs tors. theta energy: 1.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -22.088641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.088641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.088641 (E_RNA) where: Base-Base interactions energy: -4.081 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.082 local terms energy: -17.926239 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -3.497 flat angles P-C4'-P energy: -3.459 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: 155 Temperature: 1.050000 Total energy: -22.185056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.185056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.185056 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.185055 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.824 flat angles P-C4'-P energy: -3.386 tors. eta vs tors. theta energy: -3.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -20.263492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.263492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.263492 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.263491 where: bonds (distance) C4'-P energy: -3.134 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.707 flat angles P-C4'-P energy: -4.550 tors. eta vs tors. theta energy: -2.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -20.176030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.176030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.176030 (E_RNA) where: Base-Base interactions energy: -1.487 where: short stacking energy: 0.697 Base-Backbone interact. energy: -0.036 local terms energy: -18.653302 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.214 flat angles P-C4'-P energy: -0.759 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: 7, replica: 5 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -18.747350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.747350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.747350 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.167 local terms energy: -18.580099 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -3.652 flat angles P-C4'-P energy: -4.284 tors. eta vs tors. theta energy: 0.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -19.228414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.228414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.228414 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.228212 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -2.320 flat angles P-C4'-P energy: -3.997 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: 9, replica: 3 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -19.588801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.588801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.588801 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -19.490616 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.653 flat angles P-C4'-P energy: -3.716 tors. eta vs tors. theta energy: -0.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -19.519032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.519032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.519032 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.360 local terms energy: -19.159243 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.123 flat angles P-C4'-P energy: -2.079 tors. eta vs tors. theta energy: -1.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -21.816281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.816281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.816281 (E_RNA) where: Base-Base interactions energy: -5.695 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.171 local terms energy: -15.949918 where: bonds (distance) C4'-P energy: -4.546 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -4.980 flat angles P-C4'-P energy: -4.068 tors. eta vs tors. theta energy: 2.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -25.208579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.208579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.208579 (E_RNA) where: Base-Base interactions energy: -2.666 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.159 local terms energy: -22.383362 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -2.919 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: 3, replica: 10 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -20.466217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.466217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.466217 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.087 local terms energy: -19.379708 where: bonds (distance) C4'-P energy: -4.281 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -4.597 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: 1 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -22.019424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.019424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.019424 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -22.015403 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -4.086 tors. eta vs tors. theta energy: -2.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -21.997862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.997862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.997862 (E_RNA) where: Base-Base interactions energy: -2.239 where: short stacking energy: 0.002 Base-Backbone interact. energy: -0.128 local terms energy: -19.631034 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.747 flat angles P-C4'-P energy: -3.202 tors. eta vs tors. theta energy: -0.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -19.821834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.821834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.821834 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.139 local terms energy: -19.682638 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.524 flat angles P-C4'-P energy: -4.094 tors. eta vs tors. theta energy: 1.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -18.789280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.789280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.789280 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.050 local terms energy: -18.739245 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: 0.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -20.480760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.480760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.480760 (E_RNA) where: Base-Base interactions energy: 0.800 where: short stacking energy: 0.800 Base-Backbone interact. energy: 0.004 local terms energy: -21.284572 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.100 flat angles P-C4'-P energy: -4.863 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: 9, replica: 2 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -20.293660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.293660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.293660 (E_RNA) where: Base-Base interactions energy: -3.890 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.044 local terms energy: -16.359630 where: bonds (distance) C4'-P energy: -3.934 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.734 flat angles P-C4'-P energy: -3.467 tors. eta vs tors. theta energy: 1.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -18.461717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.461717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.461717 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -18.452623 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -0.337 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: 1, replica: 9 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -22.933377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.933377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.933377 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.933377 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.590 flat angles P-C4'-P energy: -4.228 tors. eta vs tors. theta energy: -3.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -19.549729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.549729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.549729 (E_RNA) where: Base-Base interactions energy: -0.092 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.038 local terms energy: -19.419863 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -4.582 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: 3, replica: 7 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -26.068160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.068160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.068160 (E_RNA) where: Base-Base interactions energy: -4.816 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -21.243958 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.531 flat angles P-C4'-P energy: -4.518 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: 4, replica: 6 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -21.235148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.235148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.235148 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.234398 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.644 flat angles P-C4'-P energy: -3.658 tors. eta vs tors. theta energy: -1.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -20.598515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.598515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.598515 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -20.580147 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.460 flat angles P-C4'-P energy: -3.652 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: 6, replica: 8 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -20.004894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.004894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.004894 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.002355 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -4.255 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -4.201 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: 7, replica: 4 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -21.453920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.453920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.453920 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.453920 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.941 flat angles P-C4'-P energy: -3.800 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: 5 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -18.989806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.989806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.989806 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.107 local terms energy: -18.883159 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -5.011 flat angles P-C4'-P energy: -4.801 tors. eta vs tors. theta energy: 0.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -18.150623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.150623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.150623 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.044 local terms energy: -18.107040 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -4.484 tors. eta vs tors. theta energy: 0.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -20.363594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.363594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.363594 (E_RNA) where: Base-Base interactions energy: 0.781 where: short stacking energy: 0.781 Base-Backbone interact. energy: -0.006 local terms energy: -21.139347 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -2.723 tors. eta vs tors. theta energy: -3.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -21.970793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.970793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.970793 (E_RNA) where: Base-Base interactions energy: -1.093 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.875901 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.726 flat angles P-C4'-P energy: -3.623 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: 2, replica: 9 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -23.220978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.220978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.220978 (E_RNA) where: Base-Base interactions energy: -1.590 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.054 local terms energy: -20.577477 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -4.696 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: -0.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -21.143881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.143881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.143881 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.041 local terms energy: -21.102449 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -2.380 tors. eta vs tors. theta energy: -1.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -22.778256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.778256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.778256 (E_RNA) where: Base-Base interactions energy: 0.133 where: short stacking energy: 0.133 Base-Backbone interact. energy: -0.008 local terms energy: -22.902861 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -3.854 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: 5, replica: 8 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -22.054733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.054733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.054733 (E_RNA) where: Base-Base interactions energy: -2.035 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.089 local terms energy: -19.930497 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.425 flat angles P-C4'-P energy: -3.738 tors. eta vs tors. theta energy: 0.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -19.558496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.558496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.558496 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -19.552515 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -2.456 tors. eta vs tors. theta energy: 0.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -20.085743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.085743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.085743 (E_RNA) where: Base-Base interactions energy: -5.357 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -14.630524 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.269 flat angles P-C4'-P energy: 0.156 tors. eta vs tors. theta energy: 0.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -22.685852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.685852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.685852 (E_RNA) where: Base-Base interactions energy: -5.676 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.331 local terms energy: -16.679018 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.550 flat angles P-C4'-P energy: -3.208 tors. eta vs tors. theta energy: 1.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -19.670688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.670688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.670688 (E_RNA) where: Base-Base interactions energy: 0.119 where: short stacking energy: 0.119 Base-Backbone interact. energy: -0.020 local terms energy: -19.769394 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.982 flat angles P-C4'-P energy: -3.996 tors. eta vs tors. theta energy: -0.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -19.283549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.283549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.283549 (E_RNA) where: Base-Base interactions energy: -6.235 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.086 local terms energy: -12.962248 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.452 flat angles C4'-P-C4' energy: -3.126 flat angles P-C4'-P energy: -2.454 tors. eta vs tors. theta energy: 2.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -22.975553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.975553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.975553 (E_RNA) where: Base-Base interactions energy: -2.530 where: short stacking energy: 0.194 Base-Backbone interact. energy: -0.132 local terms energy: -20.313708 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -3.490 flat angles P-C4'-P energy: -4.201 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: 2, replica: 6 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -20.296305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.296305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.296305 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.174 local terms energy: -20.222418 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -3.090 tors. eta vs tors. theta energy: -0.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -21.871383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.871383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.871383 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.871288 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -3.170 flat angles P-C4'-P energy: -3.102 tors. eta vs tors. theta energy: -4.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -21.429379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.429379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.429379 (E_RNA) where: Base-Base interactions energy: -3.434 where: short stacking energy: 0.600 Base-Backbone interact. energy: -0.274 local terms energy: -17.720777 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.511 flat angles P-C4'-P energy: -3.122 tors. eta vs tors. theta energy: -0.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -21.901004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.901004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.901004 (E_RNA) where: Base-Base interactions energy: 0.520 where: short stacking energy: 0.520 Base-Backbone interact. energy: -0.001 local terms energy: -22.420476 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -4.014 tors. eta vs tors. theta energy: -1.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -20.191308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.191308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.191308 (E_RNA) where: Base-Base interactions energy: 0.069 where: short stacking energy: 0.069 Base-Backbone interact. energy: -0.011 local terms energy: -20.249452 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.649 flat angles P-C4'-P energy: -4.362 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: 7, replica: 1 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -19.391732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.391732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.391732 (E_RNA) where: Base-Base interactions energy: -0.069 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.074 local terms energy: -19.249576 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -4.450 tors. eta vs tors. theta energy: 1.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -19.458672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.458672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.458672 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.058 local terms energy: -19.400684 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.351 flat angles P-C4'-P energy: -4.093 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: 9, replica: 4 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -20.756662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.756662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.756662 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -20.751464 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -5.091 flat angles P-C4'-P energy: -3.380 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: 10, replica: 2 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -18.591445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.591445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.591445 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.591315 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -3.808 flat angles C4'-P-C4' energy: -4.782 flat angles P-C4'-P energy: -3.925 tors. eta vs tors. theta energy: -1.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -21.710798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.710798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.710798 (E_RNA) where: Base-Base interactions energy: -4.427 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.015 local terms energy: -17.268649 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.776 flat angles P-C4'-P energy: -2.843 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: 10 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -21.127300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.127300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.127300 (E_RNA) where: Base-Base interactions energy: -7.067 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.078 local terms energy: -13.982058 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -3.208 flat angles P-C4'-P energy: -2.785 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: 3, replica: 8 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -22.161951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.161951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.161951 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -22.145972 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -4.066 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: 9 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -22.052491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.052491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.052491 (E_RNA) where: Base-Base interactions energy: -5.609 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.127 local terms energy: -16.316518 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.863 flat angles P-C4'-P energy: -2.363 tors. eta vs tors. theta energy: 1.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -19.144182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.144182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.144182 (E_RNA) where: Base-Base interactions energy: -3.563 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.127 local terms energy: -15.707980 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.037 flat angles P-C4'-P energy: -2.786 tors. eta vs tors. theta energy: 1.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -22.129170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.129170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.129170 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.000 local terms energy: -22.429149 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.603 flat angles P-C4'-P energy: -4.488 tors. eta vs tors. theta energy: -4.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -20.548452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.548452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.548452 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.024 local terms energy: -20.524577 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -5.540 flat angles P-C4'-P energy: -4.258 tors. eta vs tors. theta energy: -0.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -19.065947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.065947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.065947 (E_RNA) where: Base-Base interactions energy: 0.256 where: short stacking energy: 0.256 Base-Backbone interact. energy: -0.001 local terms energy: -19.321086 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -2.666 flat angles P-C4'-P energy: -4.334 tors. eta vs tors. theta energy: -1.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -20.311047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.311047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.311047 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.310614 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.532 flat angles P-C4'-P energy: -3.837 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: 10, replica: 4 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -19.013251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.013251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.013251 (E_RNA) where: Base-Base interactions energy: 0.253 where: short stacking energy: 0.253 Base-Backbone interact. energy: -0.000 local terms energy: -19.266378 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.329 flat angles P-C4'-P energy: -2.971 tors. eta vs tors. theta energy: 0.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -21.664444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.664444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.664444 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.664441 where: bonds (distance) C4'-P energy: -5.035 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.819 flat angles P-C4'-P energy: -3.952 tors. eta vs tors. theta energy: -1.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -23.559667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.559667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.559667 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.559665 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.728 flat angles P-C4'-P energy: -3.011 tors. eta vs tors. theta energy: -3.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -20.753858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.753858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.753858 (E_RNA) where: Base-Base interactions energy: 0.116 where: short stacking energy: 0.116 Base-Backbone interact. energy: -0.008 local terms energy: -20.862298 where: bonds (distance) C4'-P energy: -2.956 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.726 flat angles P-C4'-P energy: -4.087 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: 4, replica: 5 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -21.554864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.554864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.554864 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.554862 where: bonds (distance) C4'-P energy: -3.644 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.154 flat angles P-C4'-P energy: -4.464 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: 9 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -22.149569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.149569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.149569 (E_RNA) where: Base-Base interactions energy: -5.671 where: short stacking energy: 0.067 Base-Backbone interact. energy: -0.143 local terms energy: -16.335768 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.409 flat angles P-C4'-P energy: -2.575 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: 6, replica: 3 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -21.136099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.136099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.136099 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.136098 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.884 flat angles P-C4'-P energy: -1.814 tors. eta vs tors. theta energy: -3.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -21.370143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.370143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.370143 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.042 local terms energy: -21.328119 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.440 flat angles P-C4'-P energy: -4.086 tors. eta vs tors. theta energy: -0.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -18.549928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.549928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.549928 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -18.522354 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -3.095 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: 9, replica: 2 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -19.740957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.740957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.740957 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -19.719441 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -2.363 flat angles P-C4'-P energy: -3.458 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: 10, replica: 4 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -19.110743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.110743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.110743 (E_RNA) where: Base-Base interactions energy: 0.132 where: short stacking energy: 0.132 Base-Backbone interact. energy: -0.100 local terms energy: -19.142595 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.327 flat angles P-C4'-P energy: -3.991 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: 8 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -21.997487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.997487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.997487 (E_RNA) where: Base-Base interactions energy: -4.220 where: short stacking energy: 0.456 Base-Backbone interact. energy: -0.002 local terms energy: -17.776306 where: bonds (distance) C4'-P energy: -4.571 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.059 flat angles P-C4'-P energy: -1.465 tors. eta vs tors. theta energy: -2.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -21.595466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.595466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.595466 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.593119 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.134 flat angles P-C4'-P energy: -4.675 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: 3, replica: 5 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -22.948871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.948871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.948871 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -22.945311 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -3.874 tors. eta vs tors. theta energy: -3.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -23.769106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.769106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.769106 (E_RNA) where: Base-Base interactions energy: -7.912 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.143 local terms energy: -15.714544 where: bonds (distance) C4'-P energy: -4.571 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.445 flat angles P-C4'-P energy: -3.700 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: 5, replica: 3 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -19.533997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.533997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.533997 (E_RNA) where: Base-Base interactions energy: -5.586 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.032 local terms energy: -13.916430 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -4.244 flat angles C4'-P-C4' energy: -3.266 flat angles P-C4'-P energy: -4.221 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: 9 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -19.437220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.437220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.437220 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.436573 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -3.659 flat angles P-C4'-P energy: -4.485 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: 1 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -22.191105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.191105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.191105 (E_RNA) where: Base-Base interactions energy: -5.879 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -16.213657 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -3.372 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: 8, replica: 7 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -18.156402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.156402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.156402 (E_RNA) where: Base-Base interactions energy: 0.252 where: short stacking energy: 0.252 Base-Backbone interact. energy: -0.004 local terms energy: -18.404800 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.914 flat angles P-C4'-P energy: -3.640 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: 4 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -19.535560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.535560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.535560 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.685 local terms energy: -18.850795 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -3.063 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: 2 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -21.082411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.082411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.082411 (E_RNA) where: Base-Base interactions energy: 0.402 where: short stacking energy: 0.402 Base-Backbone interact. energy: -0.000 local terms energy: -21.484055 where: bonds (distance) C4'-P energy: -4.057 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.367 flat angles P-C4'-P energy: -3.094 tors. eta vs tors. theta energy: -3.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -22.608912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.608912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.608912 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.327 local terms energy: -22.281916 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -4.645 tors. eta vs tors. theta energy: -2.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -21.655527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.655527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.655527 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.655458 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.328 flat angles P-C4'-P energy: -3.459 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: 3, replica: 5 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -20.131293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.131293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.131293 (E_RNA) where: Base-Base interactions energy: 0.106 where: short stacking energy: 0.106 Base-Backbone interact. energy: -0.020 local terms energy: -20.217691 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -2.904 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: 4, replica: 3 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -21.545955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.545955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.545955 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.045 local terms energy: -21.501102 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -4.037 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: 5, replica: 10 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -22.353658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.353658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.353658 (E_RNA) where: Base-Base interactions energy: -1.511 where: short stacking energy: 0.144 Base-Backbone interact. energy: -0.007 local terms energy: -20.835928 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.394 flat angles P-C4'-P energy: -4.106 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: 6, replica: 1 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -19.320593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.320593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.320593 (E_RNA) where: Base-Base interactions energy: -3.259 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -16.060856 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -3.339 flat angles C4'-P-C4' energy: -4.227 flat angles P-C4'-P energy: -3.876 tors. eta vs tors. theta energy: -0.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -19.388674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.388674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.388674 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.386109 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.176 flat angles P-C4'-P energy: -4.238 tors. eta vs tors. theta energy: 0.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -19.312253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.312253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.312253 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.310971 where: bonds (distance) C4'-P energy: -4.253 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.058 flat angles P-C4'-P energy: -4.284 tors. eta vs tors. theta energy: -0.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -19.285005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.285005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.285005 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.161 local terms energy: -19.123907 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.062 flat angles P-C4'-P energy: -4.106 tors. eta vs tors. theta energy: 1.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -18.585284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.585284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.585284 (E_RNA) where: Base-Base interactions energy: 0.574 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -19.131714 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -5.003 flat angles P-C4'-P energy: -4.673 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: 1, replica: 6 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -21.070426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.070426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.070426 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.398 local terms energy: -20.672135 where: bonds (distance) C4'-P energy: -5.035 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.906 flat angles P-C4'-P energy: -4.457 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: 2, replica: 8 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -22.540951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.540951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.540951 (E_RNA) where: Base-Base interactions energy: 0.268 where: short stacking energy: 0.268 Base-Backbone interact. energy: -0.000 local terms energy: -22.808923 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -3.763 tors. eta vs tors. theta energy: -4.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -23.854556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.854556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.854556 (E_RNA) where: Base-Base interactions energy: -7.572 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -16.275072 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.992 flat angles P-C4'-P energy: -3.537 tors. eta vs tors. theta energy: 1.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -21.450532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.450532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.450532 (E_RNA) where: Base-Base interactions energy: -3.082 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.145 local terms energy: -17.223342 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -2.529 tors. eta vs tors. theta energy: 0.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -20.559970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.559970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.559970 (E_RNA) where: Base-Base interactions energy: -5.628 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.118 local terms energy: -14.813793 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -2.450 flat angles P-C4'-P energy: -2.036 tors. eta vs tors. theta energy: 0.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -20.150663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.150663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.150663 (E_RNA) where: Base-Base interactions energy: -0.757 where: short stacking energy: 0.352 Base-Backbone interact. energy: -0.001 local terms energy: -19.393159 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.017 flat angles P-C4'-P energy: -3.744 tors. eta vs tors. theta energy: -1.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -20.792201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.792201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.792201 (E_RNA) where: Base-Base interactions energy: -3.040 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -17.751017 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.154 flat angles P-C4'-P energy: -4.632 tors. eta vs tors. theta energy: 1.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -19.619978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.619978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.619978 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.000 local terms energy: -19.819510 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.300 flat angles P-C4'-P energy: -4.464 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: 9, replica: 2 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -21.156472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.156472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.156472 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.016 local terms energy: -21.240784 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.681 flat angles P-C4'-P energy: -3.667 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: 10, replica: 7 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -18.813312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.813312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.813312 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.811828 where: bonds (distance) C4'-P energy: -3.056 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.460 flat angles P-C4'-P energy: -4.350 tors. eta vs tors. theta energy: -1.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -21.388553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.388553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.388553 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.388305 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.354 flat angles P-C4'-P energy: -4.439 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: 2, replica: 3 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -20.414569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.414569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.414569 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.412676 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.092 flat angles P-C4'-P energy: -4.683 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: 3, replica: 8 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -21.779414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.779414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.779414 (E_RNA) where: Base-Base interactions energy: -3.675 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.141 local terms energy: -17.963674 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.902 flat angles P-C4'-P energy: -2.382 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: 4, replica: 1 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -20.678307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.678307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.678307 (E_RNA) where: Base-Base interactions energy: -1.409 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.179 local terms energy: -19.090159 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.987 flat angles P-C4'-P energy: -2.666 tors. eta vs tors. theta energy: -1.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -20.060855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.060855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.060855 (E_RNA) where: Base-Base interactions energy: -2.533 where: short stacking energy: 0.219 Base-Backbone interact. energy: -0.002 local terms energy: -17.525921 where: bonds (distance) C4'-P energy: -5.283 bonds (distance) P-C4' energy: -4.262 flat angles C4'-P-C4' energy: -3.588 flat angles P-C4'-P energy: -3.032 tors. eta vs tors. theta energy: -1.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -19.888210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.888210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.888210 (E_RNA) where: Base-Base interactions energy: -0.015 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.338 local terms energy: -19.535411 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.278 flat angles P-C4'-P energy: -4.542 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: 7, replica: 10 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -19.502308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.502308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.502308 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.500973 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.714 flat angles P-C4'-P energy: -3.904 tors. eta vs tors. theta energy: -0.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -21.603670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.603670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.603670 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.603654 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.419 flat angles P-C4'-P energy: -4.182 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: 9, replica: 2 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -19.245257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.245257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.245257 (E_RNA) where: Base-Base interactions energy: 0.248 where: short stacking energy: 0.248 Base-Backbone interact. energy: -0.001 local terms energy: -19.493004 where: bonds (distance) C4'-P energy: -5.614 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.850 flat angles P-C4'-P energy: -2.553 tors. eta vs tors. theta energy: -1.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -18.603055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.603055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.603055 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -18.597443 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.748 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: 1.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -20.415983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.415983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.415983 (E_RNA) where: Base-Base interactions energy: -8.624 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -11.701893 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.461 flat angles P-C4'-P energy: -1.086 tors. eta vs tors. theta energy: 3.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -22.006508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.006508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.006508 (E_RNA) where: Base-Base interactions energy: -1.511 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.906 local terms energy: -19.589175 where: bonds (distance) C4'-P energy: -4.240 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -4.172 flat angles P-C4'-P energy: -4.123 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: 1 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -22.183063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.183063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.183063 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.088 local terms energy: -22.095118 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -5.326 flat angles P-C4'-P energy: -4.325 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: 4, replica: 8 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -20.522962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.522962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.522962 (E_RNA) where: Base-Base interactions energy: -1.697 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -18.728832 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.660 flat angles P-C4'-P energy: -4.656 tors. eta vs tors. theta energy: 1.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -21.126286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.126286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.126286 (E_RNA) where: Base-Base interactions energy: -1.455 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.671453 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -5.379 flat angles P-C4'-P energy: -2.581 tors. eta vs tors. theta energy: -1.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -19.961956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.961956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.961956 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -19.877886 where: bonds (distance) C4'-P energy: -4.451 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.447 flat angles P-C4'-P energy: -2.142 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: 9 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -20.951247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.951247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.951247 (E_RNA) where: Base-Base interactions energy: -1.380 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.154 local terms energy: -19.417007 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -4.128 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: 8, replica: 10 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -19.602471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.602471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.602471 (E_RNA) where: Base-Base interactions energy: 0.024 where: short stacking energy: 0.024 Base-Backbone interact. energy: -0.002 local terms energy: -19.624295 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -3.964 tors. eta vs tors. theta energy: 0.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -19.841662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.841662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.841662 (E_RNA) where: Base-Base interactions energy: -2.724 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.849 local terms energy: -16.268494 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -4.213 flat angles P-C4'-P energy: -3.465 tors. eta vs tors. theta energy: 1.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -19.933075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.933075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.933075 (E_RNA) where: Base-Base interactions energy: -4.403 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.078 local terms energy: -15.452089 where: bonds (distance) C4'-P energy: -3.607 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -5.747 flat angles P-C4'-P energy: -2.939 tors. eta vs tors. theta energy: 1.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -21.960424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.960424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.960424 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.025 local terms energy: -21.935596 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.761 flat angles P-C4'-P energy: -4.731 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: 2, replica: 1 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -22.381125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.381125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.381125 (E_RNA) where: Base-Base interactions energy: -0.779 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.062 local terms energy: -21.539336 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.779 flat angles P-C4'-P energy: -4.420 tors. eta vs tors. theta energy: -1.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -21.541841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.541841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.541841 (E_RNA) where: Base-Base interactions energy: -2.280 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.274 local terms energy: -18.988128 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.680 flat angles P-C4'-P energy: -4.274 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: 4, replica: 4 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -20.602429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.602429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.602429 (E_RNA) where: Base-Base interactions energy: -6.348 where: short stacking energy: 0.500 Base-Backbone interact. energy: -0.033 local terms energy: -14.221231 where: bonds (distance) C4'-P energy: -3.552 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -3.242 flat angles P-C4'-P energy: -3.000 tors. eta vs tors. theta energy: 1.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -21.072125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.072125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.072125 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -21.068377 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.201 flat angles P-C4'-P energy: -4.488 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: 6, replica: 9 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -20.080944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.080944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.080944 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -20.058893 where: bonds (distance) C4'-P energy: -4.124 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.568 flat angles P-C4'-P energy: -3.457 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: 7, replica: 5 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -19.381062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.381062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.381062 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.654 local terms energy: -18.727230 where: bonds (distance) C4'-P energy: -3.809 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.922 flat angles P-C4'-P energy: -4.202 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: 7 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -20.026200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.026200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.026200 (E_RNA) where: Base-Base interactions energy: -4.722 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.103 local terms energy: -15.200718 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.032 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -3.088 tors. eta vs tors. theta energy: 2.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -19.346520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.346520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.346520 (E_RNA) where: Base-Base interactions energy: 1.493 where: short stacking energy: 1.493 Base-Backbone interact. energy: -0.000 local terms energy: -20.839865 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.616 flat angles P-C4'-P energy: -2.687 tors. eta vs tors. theta energy: -4.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -20.047138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.047138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.047138 (E_RNA) where: Base-Base interactions energy: -4.480 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -15.476343 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -3.212 flat angles C4'-P-C4' energy: -3.562 flat angles P-C4'-P energy: -4.486 tors. eta vs tors. theta energy: 0.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -22.509182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.509182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.509182 (E_RNA) where: Base-Base interactions energy: -4.590 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -17.825409 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.375 flat angles P-C4'-P energy: -3.706 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: 2, replica: 3 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -22.189721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.189721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.189721 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.189709 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.782 flat angles P-C4'-P energy: -3.474 tors. eta vs tors. theta energy: -2.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -22.838711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.838711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.838711 (E_RNA) where: Base-Base interactions energy: -4.533 where: short stacking energy: 0.165 Base-Backbone interact. energy: -0.019 local terms energy: -18.286158 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.696 flat angles P-C4'-P energy: -2.375 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: 4, replica: 6 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -20.542869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.542869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.542869 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.102 local terms energy: -20.441141 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -5.377 flat angles P-C4'-P energy: -3.002 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: 5, replica: 9 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -20.654000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.654000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.654000 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.653987 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.209 flat angles P-C4'-P energy: -3.883 tors. eta vs tors. theta energy: -1.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -19.923054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.923054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.923054 (E_RNA) where: Base-Base interactions energy: 0.176 where: short stacking energy: 0.176 Base-Backbone interact. energy: -0.105 local terms energy: -19.993953 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: -3.427 tors. eta vs tors. theta energy: -0.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -20.250434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.250434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.250434 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.248207 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.407 flat angles P-C4'-P energy: -3.437 tors. eta vs tors. theta energy: -1.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -21.656606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.656606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.656606 (E_RNA) where: Base-Base interactions energy: -2.264 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.390087 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.371 flat angles P-C4'-P energy: -4.025 tors. eta vs tors. theta energy: -0.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -19.439320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.439320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.439320 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.331 local terms energy: -19.770119 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.233 flat angles C4'-P-C4' energy: -5.076 flat angles P-C4'-P energy: -3.954 tors. eta vs tors. theta energy: -0.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -19.909072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.909072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.909072 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.909071 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -2.997 tors. eta vs tors. theta energy: -1.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -20.702839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.702839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.702839 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -20.602851 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.809 flat angles P-C4'-P energy: -3.487 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: 2, replica: 4 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -24.240267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.240267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.240267 (E_RNA) where: Base-Base interactions energy: -4.415 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.267 local terms energy: -19.558023 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -3.514 tors. eta vs tors. theta energy: 0.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -20.319505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.319505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.319505 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.318202 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.889 flat angles P-C4'-P energy: -3.240 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: 6 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -22.452763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.452763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.452763 (E_RNA) where: Base-Base interactions energy: -3.571 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.064 local terms energy: -18.818208 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -4.927 flat angles P-C4'-P energy: -3.387 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: 5, replica: 9 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -20.969950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.969950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.969950 (E_RNA) where: Base-Base interactions energy: -5.073 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.108 local terms energy: -15.788597 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -5.164 flat angles P-C4'-P energy: -2.494 tors. eta vs tors. theta energy: 2.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -20.174258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.174258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.174258 (E_RNA) where: Base-Base interactions energy: -2.724 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.115 local terms energy: -17.335388 where: bonds (distance) C4'-P energy: -3.537 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.170 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: 1.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -20.366386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.366386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.366386 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -20.345465 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -4.512 tors. eta vs tors. theta energy: 0.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -22.759935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.759935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.759935 (E_RNA) where: Base-Base interactions energy: -2.890 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.869607 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -2.846 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: 9, replica: 5 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -21.838792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.838792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.838792 (E_RNA) where: Base-Base interactions energy: -2.712 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -19.035131 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.230 flat angles P-C4'-P energy: -2.113 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: 169 Temperature: 1.350000 Total energy: -19.931254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.931254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.931254 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.928526 where: bonds (distance) C4'-P energy: -3.598 bonds (distance) P-C4' energy: -5.233 flat angles C4'-P-C4' energy: -4.969 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: -1.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -22.486103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.486103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.486103 (E_RNA) where: Base-Base interactions energy: -5.358 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.288 local terms energy: -16.839590 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.971 flat angles P-C4'-P energy: -3.572 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: 1 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -21.198803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.198803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.198803 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.198801 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.867 flat angles P-C4'-P energy: -2.971 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: 3, replica: 6 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -23.897729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.897729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.897729 (E_RNA) where: Base-Base interactions energy: -5.766 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -18.101518 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.778 flat angles P-C4'-P energy: -4.979 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: 4, replica: 3 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -19.880168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.880168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.880168 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.879052 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.939 flat angles P-C4'-P energy: -4.351 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: 5, replica: 7 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -20.404469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.404469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.404469 (E_RNA) where: Base-Base interactions energy: -1.992 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.712 local terms energy: -17.700755 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -5.012 flat angles P-C4'-P energy: -3.050 tors. eta vs tors. theta energy: 0.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -19.167011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.167011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.167011 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.165117 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.723 flat angles P-C4'-P energy: -3.612 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: 7, replica: 2 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -18.800091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.800091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.800091 (E_RNA) where: Base-Base interactions energy: -1.566 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.037 local terms energy: -17.197193 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.013 flat angles P-C4'-P energy: -0.611 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: 8, replica: 8 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -19.607927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.607927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.607927 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -19.592209 where: bonds (distance) C4'-P energy: -3.892 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.371 flat angles P-C4'-P energy: -3.692 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: 10 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -19.361126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.361126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.361126 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.360857 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.681 flat angles P-C4'-P energy: -3.928 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: 10, replica: 5 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -19.300286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.300286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.300286 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.300276 where: bonds (distance) C4'-P energy: -3.544 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.039 flat angles P-C4'-P energy: -3.826 tors. eta vs tors. theta energy: -2.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -23.785167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.785167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.785167 (E_RNA) where: Base-Base interactions energy: -5.705 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.706 local terms energy: -17.373846 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.131 flat angles P-C4'-P energy: -4.368 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: 6 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -22.787801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.787801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.787801 (E_RNA) where: Base-Base interactions energy: -5.882 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -16.821890 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -3.736 tors. eta vs tors. theta energy: 2.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -22.311394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.311394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.311394 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.311385 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.923 flat angles P-C4'-P energy: -3.798 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: 4, replica: 7 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -23.858441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.858441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.858441 (E_RNA) where: Base-Base interactions energy: -2.074 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.083 local terms energy: -21.701700 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.871 flat angles P-C4'-P energy: -4.151 tors. eta vs tors. theta energy: -3.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -20.293559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.293559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.293559 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.293421 where: bonds (distance) C4'-P energy: -3.809 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.524 flat angles P-C4'-P energy: -3.166 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: 2 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -20.440128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.440128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.440128 (E_RNA) where: Base-Base interactions energy: -0.538 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.089 local terms energy: -19.812865 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -5.202 flat angles P-C4'-P energy: -3.077 tors. eta vs tors. theta energy: -1.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -20.108042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.108042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.108042 (E_RNA) where: Base-Base interactions energy: 0.660 where: short stacking energy: 0.660 Base-Backbone interact. energy: -0.000 local terms energy: -20.768187 where: bonds (distance) C4'-P energy: -4.297 bonds (distance) P-C4' energy: -5.202 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -4.281 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: 10 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -19.413491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.413491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.413491 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.034 local terms energy: -19.479374 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.380 flat angles P-C4'-P energy: -3.369 tors. eta vs tors. theta energy: -0.455 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: 9, replica: 8 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -19.651742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.651742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.651742 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.651115 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.346 flat angles P-C4'-P energy: -4.207 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: 10, replica: 5 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -18.573008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.573008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.573008 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -18.565558 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.744 flat angles P-C4'-P energy: -2.879 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: 1, replica: 6 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -20.366633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.366633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.366633 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -20.353469 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.470 flat angles C4'-P-C4' energy: -5.440 flat angles P-C4'-P energy: -2.951 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: 2, replica: 4 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -22.406021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.406021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.406021 (E_RNA) where: Base-Base interactions energy: 0.803 where: short stacking energy: 0.803 Base-Backbone interact. energy: -0.000 local terms energy: -23.208527 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -3.915 tors. eta vs tors. theta energy: -2.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -21.685930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.685930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.685930 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.683925 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.921 flat angles P-C4'-P energy: -4.152 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: 4, replica: 1 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -22.220757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.220757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.220757 (E_RNA) where: Base-Base interactions energy: -5.756 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -16.441105 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -2.376 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: 1.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -23.301825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.301825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.301825 (E_RNA) where: Base-Base interactions energy: -3.707 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.106 local terms energy: -19.489201 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.866 flat angles P-C4'-P energy: -3.199 tors. eta vs tors. theta energy: -0.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -19.187693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.187693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.187693 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.047 local terms energy: -19.140473 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.688 flat angles P-C4'-P energy: -4.172 tors. eta vs tors. theta energy: 0.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -20.244010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.244010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.244010 (E_RNA) where: Base-Base interactions energy: 0.090 where: short stacking energy: 0.090 Base-Backbone interact. energy: -0.001 local terms energy: -20.333008 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -2.983 tors. eta vs tors. theta energy: -1.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -21.504509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.504509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.504509 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.504509 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.503 flat angles P-C4'-P energy: -3.088 tors. eta vs tors. theta energy: -3.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -19.314439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.314439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.314439 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -19.303257 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.783 flat angles P-C4'-P energy: -3.595 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: 10, replica: 8 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -20.582909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.582909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.582909 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.579530 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.967 flat angles P-C4'-P energy: -3.019 tors. eta vs tors. theta energy: -2.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -21.765197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.765197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.765197 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -21.762411 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.924 flat angles P-C4'-P energy: -2.709 tors. eta vs tors. theta energy: -4.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -23.189494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.189494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.189494 (E_RNA) where: Base-Base interactions energy: -4.527 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -18.658758 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -3.660 flat angles P-C4'-P energy: -2.625 tors. eta vs tors. theta energy: -1.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -19.801217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.801217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.801217 (E_RNA) where: Base-Base interactions energy: -3.369 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.053 local terms energy: -16.379337 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.060 flat angles P-C4'-P energy: -3.074 tors. eta vs tors. theta energy: 1.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -22.664830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.664830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.664830 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -22.660029 where: bonds (distance) C4'-P energy: -3.784 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.742 flat angles P-C4'-P energy: -3.861 tors. eta vs tors. theta energy: -4.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -20.875336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.875336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.875336 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.875333 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.924 flat angles P-C4'-P energy: -3.480 tors. eta vs tors. theta energy: -2.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -19.465785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.465785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.465785 (E_RNA) where: Base-Base interactions energy: -4.376 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.140 local terms energy: -14.950153 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.446 flat angles P-C4'-P energy: -3.221 tors. eta vs tors. theta energy: 2.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -20.821279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.821279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.821279 (E_RNA) where: Base-Base interactions energy: 0.697 where: short stacking energy: 0.697 Base-Backbone interact. energy: -0.001 local terms energy: -21.516728 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.551 flat angles P-C4'-P energy: -3.836 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: 8, replica: 5 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -20.978482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.978482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.978482 (E_RNA) where: Base-Base interactions energy: 0.165 where: short stacking energy: 0.165 Base-Backbone interact. energy: -0.005 local terms energy: -21.138665 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.753 flat angles P-C4'-P energy: -4.115 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: 9, replica: 9 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -19.594548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.594548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.594548 (E_RNA) where: Base-Base interactions energy: 1.228 where: short stacking energy: 1.228 Base-Backbone interact. energy: -0.025 local terms energy: -20.797626 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -5.066 flat angles P-C4'-P energy: -3.123 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: 10, replica: 8 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -19.533866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.533866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.533866 (E_RNA) where: Base-Base interactions energy: 0.191 where: short stacking energy: 0.191 Base-Backbone interact. energy: -0.004 local terms energy: -19.721424 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.186 flat angles P-C4'-P energy: -3.718 tors. eta vs tors. theta energy: -0.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -21.255728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.255728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.255728 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -21.251999 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.374 flat angles P-C4'-P energy: -2.421 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: 2, replica: 6 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -21.337249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.337249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.337249 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.076 local terms energy: -21.261609 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -4.287 flat angles P-C4'-P energy: -4.609 tors. eta vs tors. theta energy: -2.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -20.258738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.258738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.258738 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.258472 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.942 flat angles P-C4'-P energy: -3.924 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: 4, replica: 7 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -20.973479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.973479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.973479 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -20.960092 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.498 flat angles P-C4'-P energy: -4.598 tors. eta vs tors. theta energy: -1.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -19.663303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.663303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.663303 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -19.628010 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.197 flat angles P-C4'-P energy: -4.218 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: 6, replica: 1 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -20.320662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.320662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.320662 (E_RNA) where: Base-Base interactions energy: -1.947 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -18.370083 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.093 flat angles P-C4'-P energy: -3.838 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: 7, replica: 5 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -18.916190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.916190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.916190 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.110 local terms energy: -19.025784 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -4.095 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: 8, replica: 3 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -20.258576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.258576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.258576 (E_RNA) where: Base-Base interactions energy: -1.534 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.048 local terms energy: -18.676526 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.281 flat angles P-C4'-P energy: -2.143 tors. eta vs tors. theta energy: -1.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -19.651987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.651987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.651987 (E_RNA) where: Base-Base interactions energy: 0.700 where: short stacking energy: 0.700 Base-Backbone interact. energy: 0.392 local terms energy: -20.743980 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.697 flat angles P-C4'-P energy: -3.435 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: 174 Temperature: 1.350000 Total energy: -19.110360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.110360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.110360 (E_RNA) where: Base-Base interactions energy: -5.390 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -13.705472 where: bonds (distance) C4'-P energy: -2.568 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -3.663 flat angles P-C4'-P energy: -4.342 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: 1, replica: 4 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -21.241609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.241609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.241609 (E_RNA) where: Base-Base interactions energy: -4.860 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.150 local terms energy: -15.232175 where: bonds (distance) C4'-P energy: -3.983 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.551 flat angles P-C4'-P energy: -3.295 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: 2, replica: 2 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -20.459502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.459502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.459502 (E_RNA) where: Base-Base interactions energy: -0.316 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.156 local terms energy: -19.987489 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -4.694 flat angles P-C4'-P energy: -3.422 tors. eta vs tors. theta energy: -1.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -22.068507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.068507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.068507 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.068187 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.224 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: -3.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -21.595052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.595052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.595052 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -21.587394 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -4.776 tors. eta vs tors. theta energy: -0.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -20.777169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.777169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.777169 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.000 local terms energy: -21.077151 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.772 flat angles P-C4'-P energy: -3.349 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: 6, replica: 5 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -20.117859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.117859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.117859 (E_RNA) where: Base-Base interactions energy: -1.779 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.089 local terms energy: -18.249763 where: bonds (distance) C4'-P energy: -2.418 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -1.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -20.404050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.404050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.404050 (E_RNA) where: Base-Base interactions energy: -2.343 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.060267 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -4.592 flat angles P-C4'-P energy: -2.001 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: 8, replica: 8 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -19.571114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.571114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.571114 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.571072 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.053 flat angles C4'-P-C4' energy: -4.337 flat angles P-C4'-P energy: -3.476 tors. eta vs tors. theta energy: -1.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -20.682930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.682930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.682930 (E_RNA) where: Base-Base interactions energy: -2.112 where: short stacking energy: 0.289 Base-Backbone interact. energy: 0.249 local terms energy: -18.820160 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -4.136 flat angles P-C4'-P energy: -3.747 tors. eta vs tors. theta energy: -1.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -20.396772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.396772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.396772 (E_RNA) where: Base-Base interactions energy: -1.516 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -18.782553 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.233 flat angles C4'-P-C4' energy: -4.789 flat angles P-C4'-P energy: -3.725 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: 1, replica: 2 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -22.666241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.666241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.666241 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -22.652113 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -4.324 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: 2, replica: 4 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -20.239947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.239947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.239947 (E_RNA) where: Base-Base interactions energy: -2.772 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.173 local terms energy: -17.294989 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -4.026 flat angles C4'-P-C4' energy: -3.769 flat angles P-C4'-P energy: -3.140 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: 3, replica: 6 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -20.824949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.824949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.824949 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.148 local terms energy: -20.677062 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -4.445 tors. eta vs tors. theta energy: 0.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -21.517906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.517906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.517906 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.165 local terms energy: -21.352490 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.354 flat angles P-C4'-P energy: -4.008 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: 5 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -21.334152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.334152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.334152 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -21.318798 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.183 flat angles P-C4'-P energy: -4.493 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: 6, replica: 7 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -19.788358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.788358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.788358 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -19.695683 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -4.105 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: 7, replica: 8 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -19.589049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.589049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.589049 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -19.489400 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.714 flat angles P-C4'-P energy: -3.494 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: 1 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -20.871286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.871286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.871286 (E_RNA) where: Base-Base interactions energy: -3.832 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -16.980335 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.829 flat angles P-C4'-P energy: -3.660 tors. eta vs tors. theta energy: 2.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -19.669607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.669607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.669607 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.669072 where: bonds (distance) C4'-P energy: -3.826 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.218 flat angles P-C4'-P energy: -3.869 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: 3 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -19.899927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.899927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.899927 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.899871 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.498 flat angles P-C4'-P energy: -3.260 tors. eta vs tors. theta energy: -1.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -21.304950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.304950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.304950 (E_RNA) where: Base-Base interactions energy: -2.190 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.179 local terms energy: -18.936275 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.041 flat angles P-C4'-P energy: -1.376 tors. eta vs tors. theta energy: -2.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -21.557857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.557857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.557857 (E_RNA) where: Base-Base interactions energy: -5.883 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.249 local terms energy: -15.425410 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.745 flat angles P-C4'-P energy: -3.266 tors. eta vs tors. theta energy: 2.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -21.975654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.975654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.975654 (E_RNA) where: Base-Base interactions energy: -2.540 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.434791 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -2.618 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: 4, replica: 5 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -20.116409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.116409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.116409 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.114391 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -5.417 flat angles P-C4'-P energy: -2.519 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: 5, replica: 10 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -21.267857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.267857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.267857 (E_RNA) where: Base-Base interactions energy: 0.021 where: short stacking energy: 0.021 Base-Backbone interact. energy: -0.002 local terms energy: -21.286461 where: bonds (distance) C4'-P energy: -4.779 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -4.067 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: 6, replica: 8 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -20.550331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.550331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.550331 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.074 local terms energy: -20.476663 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.136 flat angles P-C4'-P energy: -4.068 tors. eta vs tors. theta energy: -1.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -19.640285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.640285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.640285 (E_RNA) where: Base-Base interactions energy: -2.749 where: short stacking energy: 0.512 Base-Backbone interact. energy: -0.121 local terms energy: -16.770180 where: bonds (distance) C4'-P energy: -4.451 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.753 flat angles P-C4'-P energy: -4.256 tors. eta vs tors. theta energy: 1.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -18.803139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.803139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.803139 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.803130 where: bonds (distance) C4'-P energy: -4.919 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -4.034 tors. eta vs tors. theta energy: 1.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -19.813670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.813670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.813670 (E_RNA) where: Base-Base interactions energy: -5.318 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.102 local terms energy: -14.392920 where: bonds (distance) C4'-P energy: -3.421 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.064 flat angles P-C4'-P energy: -0.911 tors. eta vs tors. theta energy: -0.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -19.811107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.811107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.811107 (E_RNA) where: Base-Base interactions energy: 0.025 where: short stacking energy: 0.025 Base-Backbone interact. energy: -0.152 local terms energy: -19.684182 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.022 flat angles C4'-P-C4' energy: -4.486 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: -1.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -20.664615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.664615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.664615 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.525 local terms energy: -20.139597 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.212 flat angles P-C4'-P energy: -4.547 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: 2, replica: 2 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -20.599842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.599842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.599842 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.057 local terms energy: -20.543227 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.560 flat angles P-C4'-P energy: -3.380 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: 3, replica: 5 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -20.985852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.985852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.985852 (E_RNA) where: Base-Base interactions energy: -2.323 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -18.658985 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.284 flat angles P-C4'-P energy: -3.933 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: 4, replica: 4 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -21.479395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.479395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.479395 (E_RNA) where: Base-Base interactions energy: -3.560 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -17.898230 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.091 flat angles P-C4'-P energy: -4.072 tors. eta vs tors. theta energy: 1.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -21.384434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.384434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.384434 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -21.374259 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -4.401 tors. eta vs tors. theta energy: -1.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -19.195768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.195768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.195768 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.195464 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -3.474 flat angles P-C4'-P energy: -3.389 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: 1 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -19.902263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.902263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.902263 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -19.803638 where: bonds (distance) C4'-P energy: -4.057 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -4.158 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: 7 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -19.121046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.121046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.121046 (E_RNA) where: Base-Base interactions energy: 0.785 where: short stacking energy: 0.785 Base-Backbone interact. energy: -0.000 local terms energy: -19.906044 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.279 flat angles P-C4'-P energy: -4.254 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: 9, replica: 3 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -19.431482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.431482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.431482 (E_RNA) where: Base-Base interactions energy: -1.978 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.067 local terms energy: -17.386439 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.017 flat angles P-C4'-P energy: -2.223 tors. eta vs tors. theta energy: 0.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -19.419463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.419463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.419463 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.008 local terms energy: -19.611784 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.276 flat angles P-C4'-P energy: -4.835 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: 1, replica: 6 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -22.528507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.528507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.528507 (E_RNA) where: Base-Base interactions energy: -4.961 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -17.507095 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.249 flat angles P-C4'-P energy: -2.842 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: 2, replica: 5 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -22.332338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.332338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.332338 (E_RNA) where: Base-Base interactions energy: -1.637 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.158 local terms energy: -20.537478 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -4.683 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: 3, replica: 2 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -22.147584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.147584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.147584 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -22.144992 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.654 flat angles P-C4'-P energy: -3.903 tors. eta vs tors. theta energy: -2.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -25.280226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.280226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.280226 (E_RNA) where: Base-Base interactions energy: -2.661 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.619495 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -3.145 tors. eta vs tors. theta energy: -3.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -23.669509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.669509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.669509 (E_RNA) where: Base-Base interactions energy: -1.675 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -21.990598 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.672 flat angles P-C4'-P energy: -3.995 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: 10 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -19.679047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.679047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.679047 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -19.670339 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -4.626 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: 7, replica: 1 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -20.485045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.485045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.485045 (E_RNA) where: Base-Base interactions energy: -2.393 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -18.087370 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -4.969 flat angles C4'-P-C4' energy: -4.322 flat angles P-C4'-P energy: -3.514 tors. eta vs tors. theta energy: 0.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -21.616118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.616118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.616118 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.058 local terms energy: -20.558012 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.609 flat angles P-C4'-P energy: -3.460 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: 9, replica: 3 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -23.220624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.220624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.220624 (E_RNA) where: Base-Base interactions energy: -2.100 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.120884 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.273 flat angles P-C4'-P energy: -4.532 tors. eta vs tors. theta energy: -1.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -18.285933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.285933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.285933 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.285909 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.578 flat angles P-C4'-P energy: -3.386 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: 180 Temperature: 0.900000 Total energy: -23.950803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.950803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.950803 (E_RNA) where: Base-Base interactions energy: -5.519 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -18.414049 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -3.515 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: 6 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -23.066183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.066183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.066183 (E_RNA) where: Base-Base interactions energy: -4.990 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.051 local terms energy: -18.025501 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -3.724 flat angles P-C4'-P energy: -3.371 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: 8 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -20.509715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.509715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.509715 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.507121 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -4.072 tors. eta vs tors. theta energy: -0.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -22.057424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.057424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.057424 (E_RNA) where: Base-Base interactions energy: -5.476 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.077 local terms energy: -16.503696 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.185 flat angles P-C4'-P energy: -3.494 tors. eta vs tors. theta energy: 3.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -20.891145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.891145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.891145 (E_RNA) where: Base-Base interactions energy: -5.869 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.115 local terms energy: -14.906308 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.233 flat angles C4'-P-C4' energy: -2.458 flat angles P-C4'-P energy: -3.275 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: 6, replica: 4 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -19.120966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.120966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.120966 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -2.063 local terms energy: -17.058303 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -2.571 flat angles P-C4'-P energy: -4.704 tors. eta vs tors. theta energy: 0.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -21.277666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.277666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.277666 (E_RNA) where: Base-Base interactions energy: -0.826 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.813 local terms energy: -19.638418 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -3.311 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: 8, replica: 1 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -18.764410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.764410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.764410 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.037 local terms energy: -18.727278 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.537 flat angles P-C4'-P energy: -3.073 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: 9, replica: 9 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -19.457798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.457798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.457798 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.457726 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.544 flat angles P-C4'-P energy: -3.582 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: 10, replica: 3 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -19.881078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.881078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.881078 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 1.377 local terms energy: -21.257713 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -3.869 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: 1, replica: 5 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -21.369523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.369523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.369523 (E_RNA) where: Base-Base interactions energy: 0.387 where: short stacking energy: 0.387 Base-Backbone interact. energy: -0.480 local terms energy: -21.276430 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.522 flat angles P-C4'-P energy: -4.619 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: 2, replica: 8 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -22.721194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.721194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.721194 (E_RNA) where: Base-Base interactions energy: -1.564 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.001 local terms energy: -21.155619 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.866 flat angles P-C4'-P energy: -4.541 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: 3, replica: 6 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -20.246073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.246073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.246073 (E_RNA) where: Base-Base interactions energy: -6.134 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.079 local terms energy: -14.032618 where: bonds (distance) C4'-P energy: -4.057 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -1.582 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: 4, replica: 10 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -22.273870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.273870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.273870 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.060 local terms energy: -22.213977 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.740 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: -2.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -19.852296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.852296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.852296 (E_RNA) where: Base-Base interactions energy: -3.772 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -16.064508 where: bonds (distance) C4'-P energy: -4.323 bonds (distance) P-C4' energy: -4.096 flat angles C4'-P-C4' energy: -5.148 flat angles P-C4'-P energy: -4.088 tors. eta vs tors. theta energy: 1.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -21.606833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.606833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.606833 (E_RNA) where: Base-Base interactions energy: -4.397 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -17.204844 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -3.235 flat angles P-C4'-P energy: -3.356 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: 7, replica: 4 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -19.913633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.913633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.913633 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.910915 where: bonds (distance) C4'-P energy: -3.528 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -4.236 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: 8, replica: 9 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -20.440776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.440776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.440776 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.073 local terms energy: -20.367521 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.476 flat angles C4'-P-C4' energy: -4.581 flat angles P-C4'-P energy: -4.420 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: 1 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -18.496606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.496606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.496606 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.496598 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.434 flat angles P-C4'-P energy: -3.302 tors. eta vs tors. theta energy: 0.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -18.577398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.577398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.577398 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.041 local terms energy: -18.618201 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.023 flat angles P-C4'-P energy: -4.206 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: 8 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -23.029015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.029015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.029015 (E_RNA) where: Base-Base interactions energy: -1.631 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -21.339080 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.855 flat angles P-C4'-P energy: -4.789 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: 2, replica: 5 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -21.418586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.418586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.418586 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.418585 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.401 flat angles P-C4'-P energy: -4.529 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: 3, replica: 10 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -20.792822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.792822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.792822 (E_RNA) where: Base-Base interactions energy: -4.437 where: short stacking energy: 0.101 Base-Backbone interact. energy: -0.068 local terms energy: -16.287518 where: bonds (distance) C4'-P energy: -2.762 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -3.308 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: 4, replica: 6 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -20.715433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.715433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.715433 (E_RNA) where: Base-Base interactions energy: 0.283 where: short stacking energy: 0.422 Base-Backbone interact. energy: -1.756 local terms energy: -19.242576 where: bonds (distance) C4'-P energy: -4.137 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -3.677 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: 7 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -20.536102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.536102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.536102 (E_RNA) where: Base-Base interactions energy: -0.279 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.255969 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -4.221 tors. eta vs tors. theta energy: -0.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -19.743084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.743084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.743084 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.743069 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.342 flat angles P-C4'-P energy: -3.924 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: 9 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -18.495288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.495288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.495288 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.038 local terms energy: -18.456810 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -2.630 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: 8, replica: 4 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -19.999860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.999860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.999860 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.065 local terms energy: -20.064418 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -3.178 tors. eta vs tors. theta energy: -1.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -19.377565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.377565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.377565 (E_RNA) where: Base-Base interactions energy: -5.951 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.528 local terms energy: -13.954737 where: bonds (distance) C4'-P energy: -3.242 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -3.965 flat angles P-C4'-P energy: -3.393 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: 10, replica: 1 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -19.676468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.676468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.676468 (E_RNA) where: Base-Base interactions energy: -1.236 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.437890 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -2.054 flat angles P-C4'-P energy: -3.571 tors. eta vs tors. theta energy: -1.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -21.968689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.968689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.968689 (E_RNA) where: Base-Base interactions energy: -1.919 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.201 local terms energy: -19.848972 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.850 flat angles P-C4'-P energy: -3.190 tors. eta vs tors. theta energy: -0.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -21.709276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.709276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.709276 (E_RNA) where: Base-Base interactions energy: -0.580 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.129041 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -3.795 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: 10 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -23.739069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.739069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.739069 (E_RNA) where: Base-Base interactions energy: -3.378 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.360226 where: bonds (distance) C4'-P energy: -3.482 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.356 flat angles P-C4'-P energy: -4.392 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: 7 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -20.303878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.303878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.303878 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -20.205198 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.484 flat angles P-C4'-P energy: -4.335 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: 5, replica: 6 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -20.112672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.112672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.112672 (E_RNA) where: Base-Base interactions energy: 0.148 where: short stacking energy: 0.148 Base-Backbone interact. energy: -0.001 local terms energy: -20.259780 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.347 flat angles P-C4'-P energy: -2.073 tors. eta vs tors. theta energy: -1.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -21.068086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.068086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.068086 (E_RNA) where: Base-Base interactions energy: 0.176 where: short stacking energy: 0.176 Base-Backbone interact. energy: -0.014 local terms energy: -21.230397 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.572 flat angles P-C4'-P energy: -3.824 tors. eta vs tors. theta energy: -1.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -21.417198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.417198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.417198 (E_RNA) where: Base-Base interactions energy: -5.720 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.060 local terms energy: -15.636664 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -2.922 flat angles P-C4'-P energy: -2.314 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: 8, replica: 3 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -19.601335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.601335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.601335 (E_RNA) where: Base-Base interactions energy: -1.685 where: short stacking energy: 0.600 Base-Backbone interact. energy: -0.001 local terms energy: -17.916236 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -3.427 flat angles P-C4'-P energy: -2.324 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: 9, replica: 4 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -19.178223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.178223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.178223 (E_RNA) where: Base-Base interactions energy: -1.678 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.151 local terms energy: -17.349315 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.323 flat angles P-C4'-P energy: -3.685 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: 10, replica: 1 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -19.473109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.473109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.473109 (E_RNA) where: Base-Base interactions energy: 0.395 where: short stacking energy: 0.395 Base-Backbone interact. energy: -0.043 local terms energy: -19.824862 where: bonds (distance) C4'-P energy: -4.190 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.016 flat angles P-C4'-P energy: -3.742 tors. eta vs tors. theta energy: -2.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -21.897459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.897459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.897459 (E_RNA) where: Base-Base interactions energy: -4.280 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.076 local terms energy: -17.541654 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.532 flat angles P-C4'-P energy: -4.215 tors. eta vs tors. theta energy: 1.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -22.187660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.187660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.187660 (E_RNA) where: Base-Base interactions energy: -0.841 where: short stacking energy: 0.078 Base-Backbone interact. energy: -0.000 local terms energy: -21.347035 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -2.033 tors. eta vs tors. theta energy: -4.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -21.126888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.126888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.126888 (E_RNA) where: Base-Base interactions energy: -4.015 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -17.027461 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.323 flat angles P-C4'-P energy: -2.711 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: 4, replica: 10 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -22.053515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.053515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.053515 (E_RNA) where: Base-Base interactions energy: -1.959 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.549 local terms energy: -18.545690 where: bonds (distance) C4'-P energy: -4.013 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -3.948 flat angles P-C4'-P energy: -3.579 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: 184 Temperature: 1.100000 Total energy: -18.627652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.627652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.627652 (E_RNA) where: Base-Base interactions energy: 0.108 where: short stacking energy: 0.108 Base-Backbone interact. energy: -0.462 local terms energy: -18.273991 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -3.638 flat angles C4'-P-C4' energy: -4.997 flat angles P-C4'-P energy: -4.199 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: 6, replica: 6 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -19.458040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.458040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.458040 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -19.361561 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.375 flat angles P-C4'-P energy: -3.685 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: 3 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -19.318846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.318846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.318846 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.043 local terms energy: -19.275741 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.225 flat angles P-C4'-P energy: -3.009 tors. eta vs tors. theta energy: -1.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -18.604274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.604274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.604274 (E_RNA) where: Base-Base interactions energy: -0.922 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.324 local terms energy: -17.357713 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.746 flat angles P-C4'-P energy: -2.068 tors. eta vs tors. theta energy: -0.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -19.127001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.127001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.127001 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.089 local terms energy: -19.037836 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.496 flat angles P-C4'-P energy: -4.485 tors. eta vs tors. theta energy: 0.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -22.371207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.371207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.371207 (E_RNA) where: Base-Base interactions energy: -4.204 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.074 local terms energy: -18.092886 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -3.207 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: 5 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -26.355130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.355130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.355130 (E_RNA) where: Base-Base interactions energy: -5.552 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.796917 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.972 flat angles P-C4'-P energy: -3.761 tors. eta vs tors. theta energy: -2.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -23.296779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.296779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.296779 (E_RNA) where: Base-Base interactions energy: -4.896 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.077 local terms energy: -18.323740 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.798 flat angles P-C4'-P energy: -2.664 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: 3, replica: 8 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -20.518802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.518802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.518802 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.518351 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.553 flat angles P-C4'-P energy: -3.464 tors. eta vs tors. theta energy: -2.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -23.559288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.559288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.559288 (E_RNA) where: Base-Base interactions energy: -2.365 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.194408 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -3.942 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: 5, replica: 10 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -21.446109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.446109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.446109 (E_RNA) where: Base-Base interactions energy: -0.582 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.863178 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.460 flat angles C4'-P-C4' energy: -5.080 flat angles P-C4'-P energy: -3.593 tors. eta vs tors. theta energy: -1.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -22.485125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.485125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.485125 (E_RNA) where: Base-Base interactions energy: -2.606 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.878145 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -3.221 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: 7, replica: 6 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -22.647156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.647156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.647156 (E_RNA) where: Base-Base interactions energy: -3.353 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.351 local terms energy: -18.942455 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.258 flat angles P-C4'-P energy: -3.294 tors. eta vs tors. theta energy: 0.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -20.062301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.062301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.062301 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.061601 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.029 flat angles P-C4'-P energy: -2.858 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: 9, replica: 2 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -18.898593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.898593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.898593 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.896219 where: bonds (distance) C4'-P energy: -3.606 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.699 flat angles P-C4'-P energy: -3.056 tors. eta vs tors. theta energy: -2.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -20.670113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.670113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.670113 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.669434 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.231 flat angles P-C4'-P energy: -4.286 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: 7 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -22.177838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.177838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.177838 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.000 local terms energy: -22.377546 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -3.208 tors. eta vs tors. theta energy: -2.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -20.771751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.771751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.771751 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -20.704906 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -5.574 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: -0.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -20.055226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.055226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.055226 (E_RNA) where: Base-Base interactions energy: -0.652 where: short stacking energy: 0.043 Base-Backbone interact. energy: -0.100 local terms energy: -19.303350 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -2.532 flat angles P-C4'-P energy: -4.358 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: 4, replica: 8 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -20.734668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.734668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.734668 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -20.727283 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.399 flat angles P-C4'-P energy: -3.409 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: 5, replica: 3 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -20.637582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.637582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.637582 (E_RNA) where: Base-Base interactions energy: 0.036 where: short stacking energy: 0.036 Base-Backbone interact. energy: -0.000 local terms energy: -20.673225 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: -3.651 tors. eta vs tors. theta energy: -3.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -20.178625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.178625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.178625 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.041 local terms energy: -20.137725 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.794 flat angles P-C4'-P energy: -2.659 tors. eta vs tors. theta energy: -3.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -19.524520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.524520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.524520 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.052 local terms energy: -19.472579 where: bonds (distance) C4'-P energy: -4.538 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.361 flat angles P-C4'-P energy: -2.807 tors. eta vs tors. theta energy: -1.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -20.463164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.463164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.463164 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.462308 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -5.693 flat angles P-C4'-P energy: -4.054 tors. eta vs tors. theta energy: -1.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -20.170476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.170476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.170476 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.170458 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -3.195 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: 2 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -18.199465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.199465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.199465 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -18.195709 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -3.800 flat angles P-C4'-P energy: -1.516 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: 1, replica: 7 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -24.082407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.082407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.082407 (E_RNA) where: Base-Base interactions energy: -3.723 where: short stacking energy: 0.200 Base-Backbone interact. energy: 0.418 local terms energy: -20.776961 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.185 flat angles P-C4'-P energy: -1.161 tors. eta vs tors. theta energy: -3.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -23.138244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.138244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.138244 (E_RNA) where: Base-Base interactions energy: -5.268 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.036 local terms energy: -17.833386 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.921 flat angles P-C4'-P energy: -2.729 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: 3, replica: 5 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -22.634030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.634030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.634030 (E_RNA) where: Base-Base interactions energy: -6.249 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -16.350445 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.920 flat angles P-C4'-P energy: -1.930 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: 4, replica: 8 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -21.058783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.058783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.058783 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.058733 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -3.910 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: 3 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -21.063376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.063376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.063376 (E_RNA) where: Base-Base interactions energy: -6.018 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.086 local terms energy: -14.959242 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.148 flat angles P-C4'-P energy: -1.739 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: 1 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -20.715609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.715609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.715609 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.025 local terms energy: -20.690956 where: bonds (distance) C4'-P energy: -3.271 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.670 flat angles P-C4'-P energy: -3.902 tors. eta vs tors. theta energy: -3.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -19.035584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.035584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.035584 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.034781 where: bonds (distance) C4'-P energy: -3.176 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.647 flat angles P-C4'-P energy: -3.670 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: 4 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -19.452456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.452456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.452456 (E_RNA) where: Base-Base interactions energy: -2.874 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -16.563096 where: bonds (distance) C4'-P energy: -3.632 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -2.553 tors. eta vs tors. theta energy: 0.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -20.016694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.016694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.016694 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.187 local terms energy: -19.830095 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.059 flat angles P-C4'-P energy: -3.373 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: 10, replica: 2 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -20.161691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.161691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.161691 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -20.139978 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -2.820 tors. eta vs tors. theta energy: -1.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -22.098840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.098840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.098840 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.056 local terms energy: -22.042730 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.362 flat angles P-C4'-P energy: -4.458 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: 9 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -22.763767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.763767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.763767 (E_RNA) where: Base-Base interactions energy: -2.831 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -19.915411 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -5.681 flat angles P-C4'-P energy: -3.273 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: 5 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -20.886342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.886342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.886342 (E_RNA) where: Base-Base interactions energy: -2.021 where: short stacking energy: 0.241 Base-Backbone interact. energy: 0.089 local terms energy: -18.954222 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.611 flat angles P-C4'-P energy: -3.506 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: 4, replica: 8 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -20.597351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.597351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.597351 (E_RNA) where: Base-Base interactions energy: -2.273 where: short stacking energy: 0.343 Base-Backbone interact. energy: -0.000 local terms energy: -18.324513 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -2.149 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: 1 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -21.380603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.380603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.380603 (E_RNA) where: Base-Base interactions energy: -3.604 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.012 local terms energy: -17.788271 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -3.061 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: 6, replica: 3 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -21.937685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.937685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.937685 (E_RNA) where: Base-Base interactions energy: -5.904 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.083 local terms energy: -15.950477 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -2.505 flat angles P-C4'-P energy: -2.838 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: 7, replica: 4 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -19.280655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.280655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.280655 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.280644 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.875 flat angles P-C4'-P energy: -2.151 tors. eta vs tors. theta energy: -1.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -21.145227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.145227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.145227 (E_RNA) where: Base-Base interactions energy: -2.984 where: short stacking energy: 0.575 Base-Backbone interact. energy: -0.057 local terms energy: -18.103766 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -5.299 flat angles P-C4'-P energy: -4.282 tors. eta vs tors. theta energy: 0.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -18.646333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.646333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.646333 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -18.631710 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -3.969 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: 10, replica: 6 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -22.469515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.469515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.469515 (E_RNA) where: Base-Base interactions energy: -1.290 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.069 local terms energy: -21.110591 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -4.499 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: 1, replica: 7 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -22.080129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.080129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.080129 (E_RNA) where: Base-Base interactions energy: -2.135 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.292 local terms energy: -19.653068 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -3.956 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: 2, replica: 5 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -20.397412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.397412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.397412 (E_RNA) where: Base-Base interactions energy: -2.583 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -17.806076 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.322 flat angles P-C4'-P energy: -3.740 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: 3, replica: 9 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -22.052454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.052454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.052454 (E_RNA) where: Base-Base interactions energy: -0.582 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.536 local terms energy: -20.934492 where: bonds (distance) C4'-P energy: -5.205 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -3.542 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: 4, replica: 1 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -20.794914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.794914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.794914 (E_RNA) where: Base-Base interactions energy: -5.035 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.085 local terms energy: -15.674390 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.921 flat angles P-C4'-P energy: -4.307 tors. eta vs tors. theta energy: 4.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -21.248857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.248857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.248857 (E_RNA) where: Base-Base interactions energy: -3.291 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -17.953798 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -1.667 flat angles P-C4'-P energy: -3.548 tors. eta vs tors. theta energy: -1.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -18.500038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.500038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.500038 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.076 local terms energy: -18.423883 where: bonds (distance) C4'-P energy: -3.847 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.781 flat angles P-C4'-P energy: -3.005 tors. eta vs tors. theta energy: 0.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -18.849243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.849243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.849243 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.725 local terms energy: -18.124209 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.699 flat angles P-C4'-P energy: -4.229 tors. eta vs tors. theta energy: 1.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -21.873181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.873181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.873181 (E_RNA) where: Base-Base interactions energy: -9.713 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -12.137448 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.978 flat angles P-C4'-P energy: -0.102 tors. eta vs tors. theta energy: 2.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -19.063127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.063127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.063127 (E_RNA) where: Base-Base interactions energy: -3.923 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.197 local terms energy: -14.943369 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.519 flat angles P-C4'-P energy: -2.966 tors. eta vs tors. theta energy: 3.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -20.380493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.380493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.380493 (E_RNA) where: Base-Base interactions energy: 0.377 where: short stacking energy: 0.377 Base-Backbone interact. energy: -0.000 local terms energy: -20.757649 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.188 flat angles C4'-P-C4' energy: -3.936 flat angles P-C4'-P energy: -4.361 tors. eta vs tors. theta energy: -3.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -22.306031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.306031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.306031 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.236 local terms energy: -22.542136 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.203 flat angles P-C4'-P energy: -4.155 tors. eta vs tors. theta energy: -2.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -21.574987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.574987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.574987 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -21.857976 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -4.882 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: 3, replica: 1 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -21.807693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.807693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.807693 (E_RNA) where: Base-Base interactions energy: -1.212 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -20.501126 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.725 flat angles P-C4'-P energy: -3.747 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: 4, replica: 9 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -22.401094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.401094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.401094 (E_RNA) where: Base-Base interactions energy: -5.318 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.115 local terms energy: -16.967824 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -3.960 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: 5, replica: 4 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -18.824748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.824748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.824748 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.025 local terms energy: -18.799317 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -3.546 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: 6, replica: 8 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -20.620729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.620729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.620729 (E_RNA) where: Base-Base interactions energy: 0.313 where: short stacking energy: 0.313 Base-Backbone interact. energy: -0.000 local terms energy: -20.933971 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.266 flat angles P-C4'-P energy: -3.933 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: 7, replica: 2 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -19.473392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.473392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.473392 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.069 local terms energy: -19.404198 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -4.121 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: 3 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -18.540353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.540353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.540353 (E_RNA) where: Base-Base interactions energy: 0.109 where: short stacking energy: 0.109 Base-Backbone interact. energy: -0.075 local terms energy: -18.573657 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.792 flat angles P-C4'-P energy: -3.911 tors. eta vs tors. theta energy: 0.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -21.311807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.311807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.311807 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.008 local terms energy: -20.303374 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.429 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: 10, replica: 10 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -18.779786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.779786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.779786 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.126 local terms energy: -18.654124 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.404 flat angles P-C4'-P energy: -2.693 tors. eta vs tors. theta energy: -1.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -21.877368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.877368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.877368 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -21.870421 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.054 flat angles P-C4'-P energy: -4.024 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: 2, replica: 1 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -26.640815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.640815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.640815 (E_RNA) where: Base-Base interactions energy: -7.134 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -19.500295 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.830 flat angles P-C4'-P energy: -3.366 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: 3, replica: 7 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -25.462014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.462014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.462014 (E_RNA) where: Base-Base interactions energy: -9.182 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.056 local terms energy: -16.224276 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.288 flat angles P-C4'-P energy: -3.888 tors. eta vs tors. theta energy: 2.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -21.153942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.153942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.153942 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.153921 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -4.598 tors. eta vs tors. theta energy: -0.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -20.816580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.816580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.816580 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.814967 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -4.520 tors. eta vs tors. theta energy: -0.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -20.468890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.468890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.468890 (E_RNA) where: Base-Base interactions energy: -3.521 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.044 local terms energy: -16.903271 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.463 flat angles P-C4'-P energy: -3.152 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: 7, replica: 8 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -20.653479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.653479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.653479 (E_RNA) where: Base-Base interactions energy: -1.370 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -19.265861 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.611 flat angles P-C4'-P energy: -3.349 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: 8, replica: 6 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -19.640184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.640184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.640184 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -19.620040 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -3.952 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: 3 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -20.539088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.539088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.539088 (E_RNA) where: Base-Base interactions energy: -3.082 where: short stacking energy: 0.135 Base-Backbone interact. energy: -0.382 local terms energy: -17.074626 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -3.413 flat angles P-C4'-P energy: -4.010 tors. eta vs tors. theta energy: -0.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -20.773647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.773647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.773647 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.054 local terms energy: -20.719197 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.490 flat angles P-C4'-P energy: -4.493 tors. eta vs tors. theta energy: -0.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -20.722399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.722399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.722399 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.000 local terms energy: -21.122015 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.285 flat angles P-C4'-P energy: -3.931 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: 2, replica: 5 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -23.336623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.336623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.336623 (E_RNA) where: Base-Base interactions energy: -6.998 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.444 local terms energy: -16.782031 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.784 flat angles P-C4'-P energy: -3.951 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: 3, replica: 4 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -20.917585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.917585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.917585 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -20.824733 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.785 flat angles P-C4'-P energy: -4.195 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: 7 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -19.566633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.566633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.566633 (E_RNA) where: Base-Base interactions energy: -2.375 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -17.189492 where: bonds (distance) C4'-P energy: -4.140 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.022 flat angles P-C4'-P energy: -4.044 tors. eta vs tors. theta energy: 0.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -20.491341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.491341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.491341 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.491061 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -3.867 tors. eta vs tors. theta energy: -1.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -21.297021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.297021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.297021 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -21.201641 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.391 flat angles P-C4'-P energy: -4.352 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: 7, replica: 6 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -22.768743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.768743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.768743 (E_RNA) where: Base-Base interactions energy: -2.842 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.921667 where: bonds (distance) C4'-P energy: -3.296 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -3.943 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: 8, replica: 8 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -19.657409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.657409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.657409 (E_RNA) where: Base-Base interactions energy: -1.468 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.189020 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -0.809 flat angles P-C4'-P energy: -3.757 tors. eta vs tors. theta energy: -3.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -19.842731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.842731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.842731 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.841695 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.214 flat angles P-C4'-P energy: -3.173 tors. eta vs tors. theta energy: -3.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -20.097624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.097624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.097624 (E_RNA) where: Base-Base interactions energy: -1.458 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -18.636643 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.826 flat angles P-C4'-P energy: -2.816 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: 193 Temperature: 0.900000 Total energy: -21.761803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.761803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.761803 (E_RNA) where: Base-Base interactions energy: 0.356 where: short stacking energy: 0.356 Base-Backbone interact. energy: -0.001 local terms energy: -22.116752 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.989 flat angles P-C4'-P energy: -3.422 tors. eta vs tors. theta energy: -2.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -21.275644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.275644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.275644 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.003 local terms energy: -21.373127 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -2.654 flat angles P-C4'-P energy: -4.427 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: 3, replica: 5 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -20.037964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.037964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.037964 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -20.033116 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -3.304 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: 4, replica: 7 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -21.259317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.259317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.259317 (E_RNA) where: Base-Base interactions energy: 0.809 where: short stacking energy: 0.809 Base-Backbone interact. energy: -0.100 local terms energy: -21.968676 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -4.181 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: 193 Temperature: 1.100000 Total energy: -20.091240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.091240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.091240 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -20.007682 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.100 flat angles P-C4'-P energy: -3.121 tors. eta vs tors. theta energy: -1.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -22.569544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.569544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.569544 (E_RNA) where: Base-Base interactions energy: -2.681 where: short stacking energy: 0.000 Base-Backbone interact. energy: 1.061 local terms energy: -20.949596 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -3.327 flat angles P-C4'-P energy: -3.890 tors. eta vs tors. theta energy: -2.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -21.052758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.052758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.052758 (E_RNA) where: Base-Base interactions energy: -2.032 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.183 local terms energy: -18.838141 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.811 flat angles C4'-P-C4' energy: -5.329 flat angles P-C4'-P energy: -4.328 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: 8, replica: 10 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -20.437659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.437659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.437659 (E_RNA) where: Base-Base interactions energy: 1.045 where: short stacking energy: 1.045 Base-Backbone interact. energy: -0.010 local terms energy: -21.472738 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.120 flat angles P-C4'-P energy: -4.294 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: 9, replica: 8 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -20.178457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.178457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.178457 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.064 local terms energy: -20.114129 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -3.757 tors. eta vs tors. theta energy: -1.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -18.273333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.273333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.273333 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.273268 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -2.930 flat angles P-C4'-P energy: -2.988 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: 1, replica: 1 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -22.875040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.875040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.875040 (E_RNA) where: Base-Base interactions energy: -1.185 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.690132 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -3.924 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: 2, replica: 4 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -22.215582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.215582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.215582 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.075 local terms energy: -22.140227 where: bonds (distance) C4'-P energy: -4.761 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.980 flat angles P-C4'-P energy: -3.684 tors. eta vs tors. theta energy: -2.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -23.418410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.418410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.418410 (E_RNA) where: Base-Base interactions energy: -3.049 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.368565 where: bonds (distance) C4'-P energy: -4.919 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -3.634 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: 5 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -19.174141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.174141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.174141 (E_RNA) where: Base-Base interactions energy: -2.269 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.065 local terms energy: -16.839723 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.303 flat angles P-C4'-P energy: -2.368 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: 6 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -19.403583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.403583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.403583 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -19.396841 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -3.814 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: 6, replica: 2 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -21.422821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.422821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.422821 (E_RNA) where: Base-Base interactions energy: -1.861 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.558587 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.443 flat angles P-C4'-P energy: -4.323 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: 9 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -19.991281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.991281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.991281 (E_RNA) where: Base-Base interactions energy: -5.536 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.013 local terms energy: -14.442333 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.401 flat angles P-C4'-P energy: -4.093 tors. eta vs tors. theta energy: 4.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -20.833598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.833598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.833598 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -20.821987 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -4.778 flat angles P-C4'-P energy: -4.587 tors. eta vs tors. theta energy: -1.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -19.544585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.544585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.544585 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.542941 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.691 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: 0.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -17.995081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.995081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.995081 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -17.994620 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.240 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -3.142 tors. eta vs tors. theta energy: -0.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -22.453730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.453730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.453730 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.453326 where: bonds (distance) C4'-P energy: -3.946 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.912 flat angles P-C4'-P energy: -4.731 tors. eta vs tors. theta energy: -2.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -22.349278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.349278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.349278 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -22.346666 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -3.841 tors. eta vs tors. theta energy: -3.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -22.250852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.250852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.250852 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -22.158867 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -4.485 tors. eta vs tors. theta energy: -1.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -20.744511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.744511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.744511 (E_RNA) where: Base-Base interactions energy: -2.297 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.077 local terms energy: -18.370233 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.481 flat angles P-C4'-P energy: -2.538 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: 5, replica: 5 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -22.043939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.043939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.043939 (E_RNA) where: Base-Base interactions energy: -2.006 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.050 local terms energy: -19.988272 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.100 flat angles P-C4'-P energy: -3.054 tors. eta vs tors. theta energy: -2.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -20.704810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.704810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.704810 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.204 local terms energy: -20.500760 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.937 flat angles P-C4'-P energy: -3.793 tors. eta vs tors. theta energy: -1.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -20.588152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.588152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.588152 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.588003 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.537 flat angles P-C4'-P energy: -2.774 tors. eta vs tors. theta energy: -1.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -19.799490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.799490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.799490 (E_RNA) where: Base-Base interactions energy: -0.100 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -19.640164 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.351 flat angles P-C4'-P energy: -3.617 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: 10 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -18.474569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.474569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.474569 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.819 local terms energy: -17.655203 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.134 flat angles P-C4'-P energy: -3.741 tors. eta vs tors. theta energy: 0.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -20.364485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.364485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.364485 (E_RNA) where: Base-Base interactions energy: -4.844 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -15.503741 where: bonds (distance) C4'-P energy: -2.841 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.055 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: 1.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -23.111763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.111763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.111763 (E_RNA) where: Base-Base interactions energy: -3.875 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -19.139418 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.917 flat angles P-C4'-P energy: -4.438 tors. eta vs tors. theta energy: -0.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -22.807585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.807585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.807585 (E_RNA) where: Base-Base interactions energy: -4.708 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.137 local terms energy: -17.963354 where: bonds (distance) C4'-P energy: -4.273 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.570 flat angles P-C4'-P energy: -1.737 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: 3, replica: 6 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -21.739378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.739378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.739378 (E_RNA) where: Base-Base interactions energy: -6.139 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.160 local terms energy: -15.440791 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -2.704 tors. eta vs tors. theta energy: 3.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -22.704608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.704608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.704608 (E_RNA) where: Base-Base interactions energy: -5.999 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.043 local terms energy: -16.662393 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.062 flat angles P-C4'-P energy: -3.261 tors. eta vs tors. theta energy: 0.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -20.552443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.552443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.552443 (E_RNA) where: Base-Base interactions energy: -0.579 where: short stacking energy: 1.200 Base-Backbone interact. energy: -0.040 local terms energy: -19.933729 where: bonds (distance) C4'-P energy: -4.273 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.592 flat angles P-C4'-P energy: -3.035 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: 6, replica: 5 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -19.362970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.362970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.362970 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.362948 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: 0.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -18.625086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.625086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.625086 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -1.557 local terms energy: -17.167803 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -3.328 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: 8, replica: 9 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -20.132406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.132406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.132406 (E_RNA) where: Base-Base interactions energy: -0.429 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.612 local terms energy: -19.091363 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -3.689 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: 8 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -19.179377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.179377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.179377 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -19.169268 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.182 flat angles P-C4'-P energy: -2.618 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: 10, replica: 10 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -19.139951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.139951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.139951 (E_RNA) where: Base-Base interactions energy: -2.082 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.055 local terms energy: -17.002864 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.623 flat angles P-C4'-P energy: -2.431 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: 1, replica: 7 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -22.104757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.104757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.104757 (E_RNA) where: Base-Base interactions energy: -2.400 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -19.697471 where: bonds (distance) C4'-P energy: -4.538 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.112 flat angles P-C4'-P energy: -4.226 tors. eta vs tors. theta energy: -1.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -20.270820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.270820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.270820 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.269618 where: bonds (distance) C4'-P energy: -4.058 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -3.538 tors. eta vs tors. theta energy: -1.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -21.665667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.665667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.665667 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.179 local terms energy: -21.486285 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.759 flat angles P-C4'-P energy: -4.654 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: 4, replica: 2 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -20.869203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.869203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.869203 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -20.855006 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -2.683 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: 5, replica: 4 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -20.810540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.810540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.810540 (E_RNA) where: Base-Base interactions energy: -3.880 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.513 local terms energy: -16.417167 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -5.246 flat angles P-C4'-P energy: -2.255 tors. eta vs tors. theta energy: 1.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -21.788965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.788965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.788965 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.787974 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -3.393 tors. eta vs tors. theta energy: -2.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -19.425873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.425873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.425873 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.209 local terms energy: -19.216577 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.373 flat angles P-C4'-P energy: -3.337 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: 8 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -19.150094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.150094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.150094 (E_RNA) where: Base-Base interactions energy: -5.377 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.154 local terms energy: -13.618546 where: bonds (distance) C4'-P energy: -4.012 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -2.839 tors. eta vs tors. theta energy: 3.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -18.645099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.645099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.645099 (E_RNA) where: Base-Base interactions energy: 0.932 where: short stacking energy: 0.932 Base-Backbone interact. energy: -0.001 local terms energy: -19.576389 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.060 flat angles P-C4'-P energy: -3.509 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: 10, replica: 10 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -19.058720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.058720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.058720 (E_RNA) where: Base-Base interactions energy: -0.934 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -18.102384 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.507 flat angles P-C4'-P energy: -3.501 tors. eta vs tors. theta energy: -0.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -22.572113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.572113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.572113 (E_RNA) where: Base-Base interactions energy: -5.976 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.106 local terms energy: -16.489984 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -1.824 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: 2, replica: 7 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -22.560303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.560303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.560303 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -22.558216 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -4.323 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: 3, replica: 2 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -23.655655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.655655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.655655 (E_RNA) where: Base-Base interactions energy: -5.939 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.181 local terms energy: -17.535873 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.050 flat angles P-C4'-P energy: -4.722 tors. eta vs tors. theta energy: 1.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -21.329543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.329543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.329543 (E_RNA) where: Base-Base interactions energy: 0.063 where: short stacking energy: 0.063 Base-Backbone interact. energy: -0.001 local terms energy: -21.392229 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.588 flat angles P-C4'-P energy: -4.089 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: 5, replica: 5 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -20.267508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.267508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.267508 (E_RNA) where: Base-Base interactions energy: -2.127 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.138773 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -2.260 tors. eta vs tors. theta energy: -0.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -19.937378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.937378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.937378 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.040 local terms energy: -19.897712 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -2.958 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: 8 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -20.665045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.665045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.665045 (E_RNA) where: Base-Base interactions energy: -4.603 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.162 local terms energy: -15.900210 where: bonds (distance) C4'-P energy: -3.868 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.641 flat angles P-C4'-P energy: -3.254 tors. eta vs tors. theta energy: 0.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -20.865412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.865412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.865412 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.864542 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.092 flat angles P-C4'-P energy: -4.119 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: 9, replica: 10 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -18.694213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.694213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.694213 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.105 local terms energy: -18.799010 where: bonds (distance) C4'-P energy: -3.933 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.443 flat angles P-C4'-P energy: -4.306 tors. eta vs tors. theta energy: -0.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -18.524259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.524259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.524259 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -18.516589 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.208 flat angles P-C4'-P energy: -2.687 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: 1, replica: 6 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -21.408177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.408177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.408177 (E_RNA) where: Base-Base interactions energy: -5.191 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.148 local terms energy: -16.069249 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -4.519 flat angles C4'-P-C4' energy: -4.483 flat angles P-C4'-P energy: -3.708 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: 2, replica: 2 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -21.652151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.652151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.652151 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -21.617287 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -3.821 tors. eta vs tors. theta energy: -0.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -21.365753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.365753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.365753 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.048 local terms energy: -21.317831 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.542 flat angles P-C4'-P energy: -4.534 tors. eta vs tors. theta energy: -1.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -20.372030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.372030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.372030 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.079 local terms energy: -20.293265 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.777 flat angles P-C4'-P energy: -3.629 tors. eta vs tors. theta energy: -0.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -20.273812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.273812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.273812 (E_RNA) where: Base-Base interactions energy: -2.154 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -18.099738 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.677 flat angles P-C4'-P energy: -3.036 tors. eta vs tors. theta energy: 0.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -19.214126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.214126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.214126 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.214122 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -4.578 flat angles P-C4'-P energy: -2.911 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: 7, replica: 4 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -20.617470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.617470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.617470 (E_RNA) where: Base-Base interactions energy: -0.548 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.102 local terms energy: -19.968150 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.977 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -0.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -19.779455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.779455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.779455 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -19.688524 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.486 flat angles P-C4'-P energy: -4.475 tors. eta vs tors. theta energy: -0.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -21.488718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.488718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.488718 (E_RNA) where: Base-Base interactions energy: -4.678 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.986 local terms energy: -15.825030 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -3.111 flat angles C4'-P-C4' energy: -5.145 flat angles P-C4'-P energy: -3.835 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: 10, replica: 9 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -18.641220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.641220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.641220 (E_RNA) where: Base-Base interactions energy: -2.814 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.263 local terms energy: -15.564226 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -1.171 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: 1, replica: 2 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -21.515847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.515847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.515847 (E_RNA) where: Base-Base interactions energy: -3.248 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.149 local terms energy: -18.118822 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.906 flat angles P-C4'-P energy: -3.386 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: 2, replica: 6 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -22.210600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.210600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.210600 (E_RNA) where: Base-Base interactions energy: -3.181 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.026209 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.162 flat angles P-C4'-P energy: -4.807 tors. eta vs tors. theta energy: 0.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -23.340965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.340965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.340965 (E_RNA) where: Base-Base interactions energy: -4.849 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.133 local terms energy: -18.358862 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.064 flat angles P-C4'-P energy: -3.745 tors. eta vs tors. theta energy: -0.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -23.362891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.362891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.362891 (E_RNA) where: Base-Base interactions energy: -4.770 where: short stacking energy: 0.317 Base-Backbone interact. energy: -0.594 local terms energy: -17.998884 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -3.013 flat angles P-C4'-P energy: -4.378 tors. eta vs tors. theta energy: -0.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -20.604328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.604328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.604328 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.602291 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.213 flat angles P-C4'-P energy: -3.354 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: 1 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -20.328931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.328931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.328931 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -20.294007 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.614 flat angles C4'-P-C4' energy: -5.170 flat angles P-C4'-P energy: -3.163 tors. eta vs tors. theta energy: -2.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -20.075258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.075258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.075258 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.072352 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -2.851 tors. eta vs tors. theta energy: -0.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -21.391296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.391296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.391296 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.391222 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.408 flat angles P-C4'-P energy: -4.503 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: 9, replica: 9 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -20.245768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.245768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.245768 (E_RNA) where: Base-Base interactions energy: 0.455 where: short stacking energy: 0.455 Base-Backbone interact. energy: -0.095 local terms energy: -20.606506 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -3.304 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: 10, replica: 3 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -19.419766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.419766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.419766 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -19.413844 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.401 flat angles P-C4'-P energy: -4.560 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: 2 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -23.763855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.763855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.763855 (E_RNA) where: Base-Base interactions energy: -5.961 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.242 local terms energy: -17.560812 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -4.188 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: 2, replica: 5 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -22.116922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.116922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.116922 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.066 local terms energy: -22.050959 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.689 flat angles P-C4'-P energy: -4.687 tors. eta vs tors. theta energy: -1.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -20.914190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.914190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.914190 (E_RNA) where: Base-Base interactions energy: -0.656 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -20.161801 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.995 flat angles P-C4'-P energy: -2.057 tors. eta vs tors. theta energy: -1.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -20.562335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.562335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.562335 (E_RNA) where: Base-Base interactions energy: -5.148 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.133 local terms energy: -15.281148 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -4.663 flat angles P-C4'-P energy: -3.535 tors. eta vs tors. theta energy: 2.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -20.217192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.217192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.217192 (E_RNA) where: Base-Base interactions energy: 0.765 where: short stacking energy: 0.765 Base-Backbone interact. energy: -0.000 local terms energy: -20.981494 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.911 flat angles P-C4'-P energy: -2.509 tors. eta vs tors. theta energy: -3.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -19.243925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.243925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.243925 (E_RNA) where: Base-Base interactions energy: -1.288 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -17.861206 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -2.427 flat angles P-C4'-P energy: -3.742 tors. eta vs tors. theta energy: -1.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -20.456977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.456977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.456977 (E_RNA) where: Base-Base interactions energy: 0.768 where: short stacking energy: 0.768 Base-Backbone interact. energy: -0.095 local terms energy: -21.129934 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.875 flat angles P-C4'-P energy: -4.824 tors. eta vs tors. theta energy: -0.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -20.552217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.552217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.552217 (E_RNA) where: Base-Base interactions energy: -2.150 where: short stacking energy: 0.325 Base-Backbone interact. energy: -0.828 local terms energy: -17.573746 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -2.063 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: 9, replica: 4 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -20.258295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.258295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.258295 (E_RNA) where: Base-Base interactions energy: -5.749 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.105 local terms energy: -14.404211 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -3.701 flat angles P-C4'-P energy: -3.095 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: 10, replica: 3 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -18.195579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.195579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.195579 (E_RNA) where: Base-Base interactions energy: 0.555 where: short stacking energy: 0.555 Base-Backbone interact. energy: -0.001 local terms energy: -18.749203 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -3.432 flat angles P-C4'-P energy: -3.073 tors. eta vs tors. theta energy: -2.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -21.217804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.217804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.217804 (E_RNA) where: Base-Base interactions energy: -3.751 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.103 local terms energy: -17.364246 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.673 flat angles P-C4'-P energy: -3.149 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: 2, replica: 2 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -21.527152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.527152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.527152 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.876 local terms energy: -20.651338 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -4.063 tors. eta vs tors. theta energy: -0.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -21.249632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.249632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.249632 (E_RNA) where: Base-Base interactions energy: -2.713 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -18.530321 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.359 flat angles P-C4'-P energy: -3.768 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: 4, replica: 8 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -21.801050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.801050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.801050 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.023 local terms energy: -22.078392 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: -2.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -20.671829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.671829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.671829 (E_RNA) where: Base-Base interactions energy: -3.783 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.117 local terms energy: -16.771723 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.539 flat angles P-C4'-P energy: -1.460 tors. eta vs tors. theta energy: 0.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -20.337312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.337312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.337312 (E_RNA) where: Base-Base interactions energy: -4.769 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.047 local terms energy: -15.521928 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.719 flat angles P-C4'-P energy: -2.901 tors. eta vs tors. theta energy: 3.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -19.331112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.331112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.331112 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.331054 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.153 flat angles P-C4'-P energy: -4.344 tors. eta vs tors. theta energy: 0.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -19.663952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.663952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.663952 (E_RNA) where: Base-Base interactions energy: 0.252 where: short stacking energy: 0.252 Base-Backbone interact. energy: -0.000 local terms energy: -19.916259 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.520 flat angles P-C4'-P energy: -2.911 tors. eta vs tors. theta energy: -2.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -18.309620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.309620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.309620 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.309611 where: bonds (distance) C4'-P energy: -3.876 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.130 flat angles P-C4'-P energy: -3.713 tors. eta vs tors. theta energy: 0.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -19.244897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.244897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.244897 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -19.210355 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.073 flat angles P-C4'-P energy: -4.180 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: 5 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -21.666210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.666210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.666210 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.665779 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.369 flat angles P-C4'-P energy: -3.705 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: 2, replica: 6 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -20.133300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.133300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.133300 (E_RNA) where: Base-Base interactions energy: 0.590 where: short stacking energy: 0.590 Base-Backbone interact. energy: -0.030 local terms energy: -20.693646 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -4.351 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: 3, replica: 2 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -20.401378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.401378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.401378 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.191 local terms energy: -20.210871 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.318 flat angles P-C4'-P energy: -4.713 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: 4, replica: 7 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -21.106061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.106061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.106061 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.203 local terms energy: -20.903189 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -4.901 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: 5, replica: 8 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -20.146407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.146407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.146407 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.143476 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.967 flat angles P-C4'-P energy: -4.358 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: 6, replica: 9 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -20.066477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.066477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.066477 (E_RNA) where: Base-Base interactions energy: -1.511 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -18.555733 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -3.664 flat angles P-C4'-P energy: -4.329 tors. eta vs tors. theta energy: -1.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -21.887444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.887444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.887444 (E_RNA) where: Base-Base interactions energy: -6.837 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -15.046104 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -3.264 flat angles P-C4'-P energy: -1.706 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: 8, replica: 3 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -20.027749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.027749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.027749 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.438 local terms energy: -19.589770 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -4.391 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: 9, replica: 1 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -20.465234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.465234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.465234 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.072 local terms energy: -20.393614 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -4.149 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: 10, replica: 4 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -20.944110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.944110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.944110 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.944077 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.928 flat angles P-C4'-P energy: -3.621 tors. eta vs tors. theta energy: -1.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -22.196329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.196329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.196329 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -22.183170 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.838 flat angles P-C4'-P energy: -4.247 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: 2, replica: 5 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -22.127934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.127934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.127934 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.127933 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -3.954 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: 3, replica: 2 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -22.802773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.802773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.802773 (E_RNA) where: Base-Base interactions energy: -5.486 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.074 local terms energy: -17.390484 where: bonds (distance) C4'-P energy: -3.400 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.397 flat angles P-C4'-P energy: -4.455 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: 4, replica: 7 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -23.600301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.600301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.600301 (E_RNA) where: Base-Base interactions energy: -4.915 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.904 local terms energy: -17.781225 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.547 flat angles P-C4'-P energy: -3.536 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: 5, replica: 9 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -22.406855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.406855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.406855 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -22.405703 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.185 flat angles P-C4'-P energy: -3.536 tors. eta vs tors. theta energy: -2.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -22.009695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.009695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.009695 (E_RNA) where: Base-Base interactions energy: -6.045 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.154 local terms energy: -15.810716 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -2.927 flat angles P-C4'-P energy: -2.609 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: 7, replica: 3 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -20.732347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.732347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.732347 (E_RNA) where: Base-Base interactions energy: -4.704 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -16.027352 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -3.103 flat angles P-C4'-P energy: -1.319 tors. eta vs tors. theta energy: -1.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -19.476252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.476252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.476252 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.476153 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.279 flat angles P-C4'-P energy: -3.589 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: 4 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -19.930315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.930315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.930315 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -19.915026 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.869 flat angles P-C4'-P energy: -3.962 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: 10, replica: 1 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -19.751865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.751865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.751865 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.034 local terms energy: -19.717960 where: bonds (distance) C4'-P energy: -4.191 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.579 flat angles P-C4'-P energy: -3.536 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: 1, replica: 6 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -21.393866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.393866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.393866 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.393110 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.952 flat angles P-C4'-P energy: -4.306 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: 2, replica: 2 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -28.221084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.221084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.221084 (E_RNA) where: Base-Base interactions energy: -4.451 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -23.767816 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -4.172 tors. eta vs tors. theta energy: -3.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -20.988779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.988779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.988779 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.988768 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.586 flat angles P-C4'-P energy: -4.335 tors. eta vs tors. theta energy: -1.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -19.827464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.827464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.827464 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.826843 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -4.504 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: 5, replica: 7 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -21.715601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.715601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.715601 (E_RNA) where: Base-Base interactions energy: -2.643 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -19.061105 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -3.869 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: 6, replica: 3 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -21.123208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.123208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.123208 (E_RNA) where: Base-Base interactions energy: -5.118 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -15.974261 where: bonds (distance) C4'-P energy: -3.490 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.249 flat angles P-C4'-P energy: -4.063 tors. eta vs tors. theta energy: 2.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -20.436744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.436744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.436744 (E_RNA) where: Base-Base interactions energy: 0.428 where: short stacking energy: 0.428 Base-Backbone interact. energy: -0.001 local terms energy: -20.864346 where: bonds (distance) C4'-P energy: -4.369 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.225 flat angles P-C4'-P energy: -4.385 tors. eta vs tors. theta energy: -0.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -20.410961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.410961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.410961 (E_RNA) where: Base-Base interactions energy: -3.615 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.106 local terms energy: -16.690429 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.458 flat angles P-C4'-P energy: -4.014 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: 9, replica: 10 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -20.017747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.017747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.017747 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.017601 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -3.528 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -3.959 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: 1 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -19.891753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.891753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.891753 (E_RNA) where: Base-Base interactions energy: -2.216 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -17.673654 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -3.936 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: 1, replica: 2 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -21.983646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.983646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.983646 (E_RNA) where: Base-Base interactions energy: -2.351 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.078 local terms energy: -19.554636 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -3.763 tors. eta vs tors. theta energy: 0.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -22.949464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.949464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.949464 (E_RNA) where: Base-Base interactions energy: -5.631 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -17.296696 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.910 flat angles P-C4'-P energy: -3.983 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: 9 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -20.775083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.775083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.775083 (E_RNA) where: Base-Base interactions energy: -0.554 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.220588 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.318 flat angles P-C4'-P energy: -3.318 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: 4, replica: 5 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -20.645016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.645016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.645016 (E_RNA) where: Base-Base interactions energy: -3.336 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.065 local terms energy: -17.244020 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -3.453 flat angles P-C4'-P energy: -4.129 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: 206 Temperature: 1.100000 Total energy: -20.424786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.424786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.424786 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.025 local terms energy: -20.399998 where: bonds (distance) C4'-P energy: -4.903 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -4.534 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: 6, replica: 7 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -20.816223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.816223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.816223 (E_RNA) where: Base-Base interactions energy: -2.851 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.195 local terms energy: -17.771161 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.022 flat angles P-C4'-P energy: -3.173 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: 7, replica: 4 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -19.365487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.365487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.365487 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.083 local terms energy: -19.282737 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.677 flat angles P-C4'-P energy: -3.224 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: 8 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -22.194966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.194966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.194966 (E_RNA) where: Base-Base interactions energy: 0.550 where: short stacking energy: 0.550 Base-Backbone interact. energy: -0.006 local terms energy: -22.738606 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -4.178 tors. eta vs tors. theta energy: -3.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -20.007985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.007985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.007985 (E_RNA) where: Base-Base interactions energy: -3.821 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.089 local terms energy: -16.098813 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.706 flat angles P-C4'-P energy: -4.491 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: 10, replica: 1 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -17.967482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.967482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.967482 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.074 local terms energy: -17.893969 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -3.154 flat angles P-C4'-P energy: -3.859 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: 1, replica: 2 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -22.673408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.673408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.673408 (E_RNA) where: Base-Base interactions energy: -4.579 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.085 local terms energy: -18.009646 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.625 flat angles P-C4'-P energy: -2.812 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: 2, replica: 9 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -21.685594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.685594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.685594 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -21.670086 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -4.695 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: 3, replica: 6 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -20.466772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.466772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.466772 (E_RNA) where: Base-Base interactions energy: 0.530 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.178 local terms energy: -20.818153 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -4.424 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: 4, replica: 3 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -19.271221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.271221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.271221 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.116 local terms energy: -19.155472 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.556 flat angles P-C4'-P energy: -3.403 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: 5, replica: 5 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -20.337640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.337640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.337640 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.073 local terms energy: -20.264930 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.922 flat angles P-C4'-P energy: -3.969 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: 6, replica: 4 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -22.582233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.582233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.582233 (E_RNA) where: Base-Base interactions energy: -2.799 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.779280 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.863 flat angles P-C4'-P energy: -3.670 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: 7, replica: 7 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -19.482240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.482240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.482240 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.479983 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -2.480 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: 10 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -22.736189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.736189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.736189 (E_RNA) where: Base-Base interactions energy: -4.111 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.057 local terms energy: -18.568599 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.651 flat angles P-C4'-P energy: -3.254 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: 9, replica: 8 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -19.673192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.673192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.673192 (E_RNA) where: Base-Base interactions energy: -3.726 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.460 local terms energy: -15.487883 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -4.188 flat angles C4'-P-C4' energy: -2.332 flat angles P-C4'-P energy: -3.669 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: 1 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -19.931235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.931235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.931235 (E_RNA) where: Base-Base interactions energy: -4.477 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.173 local terms energy: -15.280653 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.144 flat angles P-C4'-P energy: -2.822 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: 1, replica: 9 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -22.462234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.462234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.462234 (E_RNA) where: Base-Base interactions energy: -5.344 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.066 local terms energy: -17.051816 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.813 flat angles P-C4'-P energy: -4.477 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: 2, replica: 2 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -22.935450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.935450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.935450 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.934969 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.334 flat angles P-C4'-P energy: -4.200 tors. eta vs tors. theta energy: -2.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -22.364863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.364863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.364863 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.070 local terms energy: -22.294418 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.356 flat angles P-C4'-P energy: -4.461 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: 4, replica: 6 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -20.161320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.161320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.161320 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.160294 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.813 flat angles P-C4'-P energy: -4.506 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: 5, replica: 4 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -21.099156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.099156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.099156 (E_RNA) where: Base-Base interactions energy: -5.507 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -15.507599 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -4.970 flat angles P-C4'-P energy: -2.770 tors. eta vs tors. theta energy: 2.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -20.484903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.484903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.484903 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -20.386097 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.137 flat angles P-C4'-P energy: -4.119 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: 7, replica: 7 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -20.080327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.080327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.080327 (E_RNA) where: Base-Base interactions energy: -4.749 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -15.317999 where: bonds (distance) C4'-P energy: -3.429 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.337 flat angles P-C4'-P energy: -2.678 tors. eta vs tors. theta energy: 0.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -21.113803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.113803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.113803 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -21.110275 where: bonds (distance) C4'-P energy: -4.873 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -4.512 tors. eta vs tors. theta energy: 0.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -18.948794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.948794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.948794 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.046 local terms energy: -18.902432 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -4.829 flat angles P-C4'-P energy: -4.102 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: 8 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -18.580487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.580487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.580487 (E_RNA) where: Base-Base interactions energy: 0.458 where: short stacking energy: 0.458 Base-Backbone interact. energy: -0.000 local terms energy: -19.038407 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.836 flat angles P-C4'-P energy: -2.643 tors. eta vs tors. theta energy: -2.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -21.303080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.303080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.303080 (E_RNA) where: Base-Base interactions energy: -5.522 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.083 local terms energy: -15.698269 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -3.183 flat angles P-C4'-P energy: -3.006 tors. eta vs tors. theta energy: 2.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -21.952833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.952833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.952833 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.952797 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.967 flat angles P-C4'-P energy: -3.988 tors. eta vs tors. theta energy: -3.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -22.523810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.523810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.523810 (E_RNA) where: Base-Base interactions energy: -8.375 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.121 local terms energy: -14.027788 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.060 flat angles P-C4'-P energy: -3.656 tors. eta vs tors. theta energy: 3.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -21.451277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.451277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.451277 (E_RNA) where: Base-Base interactions energy: -4.442 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.174 local terms energy: -16.834512 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -2.905 flat angles P-C4'-P energy: -3.937 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: 5, replica: 6 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -21.182143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.182143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.182143 (E_RNA) where: Base-Base interactions energy: -2.564 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -18.595827 where: bonds (distance) C4'-P energy: -4.285 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.567 flat angles P-C4'-P energy: -3.465 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: 6, replica: 7 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -20.316330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.316330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.316330 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.105 local terms energy: -20.211529 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.470 flat angles P-C4'-P energy: -3.563 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: 5 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -19.836233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.836233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.836233 (E_RNA) where: Base-Base interactions energy: 0.230 where: short stacking energy: 0.230 Base-Backbone interact. energy: -0.043 local terms energy: -20.022675 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -4.189 flat angles P-C4'-P energy: -4.483 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: 8, replica: 10 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -19.785000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.785000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.785000 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.048 local terms energy: -19.737003 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.400 flat angles P-C4'-P energy: -4.007 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: 9, replica: 1 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -19.202529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.202529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.202529 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.070 local terms energy: -19.132468 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.653 flat angles P-C4'-P energy: -2.869 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: 10, replica: 8 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -18.168952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.168952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.168952 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -18.160671 where: bonds (distance) C4'-P energy: -3.764 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -4.203 tors. eta vs tors. theta energy: 0.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -21.676661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.676661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.676661 (E_RNA) where: Base-Base interactions energy: -1.196 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -20.382779 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.776 flat angles P-C4'-P energy: -3.253 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: 9 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -21.099444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.099444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.099444 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.098509 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -3.661 tors. eta vs tors. theta energy: -2.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -20.900884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.900884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.900884 (E_RNA) where: Base-Base interactions energy: -2.321 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.040 local terms energy: -18.539560 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.292 flat angles P-C4'-P energy: -4.705 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: 4, replica: 2 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -21.955442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.955442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.955442 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.319 local terms energy: -22.274603 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -3.577 flat angles P-C4'-P energy: -4.950 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: 5, replica: 7 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -21.889634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.889634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.889634 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.889209 where: bonds (distance) C4'-P energy: -3.528 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.868 flat angles P-C4'-P energy: -4.210 tors. eta vs tors. theta energy: -2.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -19.980642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.980642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.980642 (E_RNA) where: Base-Base interactions energy: -1.212 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.051 local terms energy: -18.718000 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.022 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -3.818 tors. eta vs tors. theta energy: -1.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -20.077275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.077275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.077275 (E_RNA) where: Base-Base interactions energy: -3.331 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.170 local terms energy: -16.576959 where: bonds (distance) C4'-P energy: -4.653 bonds (distance) P-C4' energy: -4.998 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: 1.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -21.056988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.056988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.056988 (E_RNA) where: Base-Base interactions energy: -5.539 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -15.450073 where: bonds (distance) C4'-P energy: -3.436 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -4.468 flat angles P-C4'-P energy: -3.080 tors. eta vs tors. theta energy: -0.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -20.039690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.039690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.039690 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.704 local terms energy: -19.335675 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.236 flat angles P-C4'-P energy: -4.124 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: 10, replica: 1 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -20.927549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.927549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.927549 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.924474 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.690 flat angles P-C4'-P energy: -4.420 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: 1, replica: 3 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -21.198532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.198532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.198532 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.039 local terms energy: -21.159149 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.945 flat angles C4'-P-C4' energy: -5.149 flat angles P-C4'-P energy: -3.841 tors. eta vs tors. theta energy: -1.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -20.174876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.174876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.174876 (E_RNA) where: Base-Base interactions energy: -3.854 where: short stacking energy: 0.568 Base-Backbone interact. energy: -0.027 local terms energy: -16.294795 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.776 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -3.105 tors. eta vs tors. theta energy: 2.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -22.456455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.456455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.456455 (E_RNA) where: Base-Base interactions energy: -1.531 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -20.914596 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.295 flat angles P-C4'-P energy: -3.799 tors. eta vs tors. theta energy: -3.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -23.410179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.410179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.410179 (E_RNA) where: Base-Base interactions energy: -1.368 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.885 local terms energy: -20.157159 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -4.391 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: 5, replica: 2 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -22.089247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.089247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.089247 (E_RNA) where: Base-Base interactions energy: 0.328 where: short stacking energy: 0.328 Base-Backbone interact. energy: -0.000 local terms energy: -22.417234 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -4.362 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: 6, replica: 10 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -19.699130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.699130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.699130 (E_RNA) where: Base-Base interactions energy: -1.699 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.075 local terms energy: -17.925463 where: bonds (distance) C4'-P energy: -3.607 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.769 flat angles P-C4'-P energy: -2.868 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: 6 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -20.403295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.403295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.403295 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -20.309754 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -2.349 flat angles P-C4'-P energy: -4.617 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: 8, replica: 8 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -19.384242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.384242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.384242 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.383949 where: bonds (distance) C4'-P energy: -3.818 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.427 flat angles P-C4'-P energy: -4.511 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: 9, replica: 5 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -17.811732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.811732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.811732 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -17.810012 where: bonds (distance) C4'-P energy: -3.556 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.041 flat angles P-C4'-P energy: -2.837 tors. eta vs tors. theta energy: -1.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -18.579396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.579396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.579396 (E_RNA) where: Base-Base interactions energy: -2.549 where: short stacking energy: 0.029 Base-Backbone interact. energy: -0.120 local terms energy: -15.910875 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -3.427 flat angles P-C4'-P energy: -2.697 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: 1, replica: 4 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -21.975315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.975315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.975315 (E_RNA) where: Base-Base interactions energy: -2.110 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.062 local terms energy: -19.803232 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.482 flat angles P-C4'-P energy: -4.712 tors. eta vs tors. theta energy: -0.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -24.614784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.614784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.614784 (E_RNA) where: Base-Base interactions energy: -6.956 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.985 local terms energy: -16.674457 where: bonds (distance) C4'-P energy: -3.661 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.382 flat angles P-C4'-P energy: -2.756 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: 3, replica: 7 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -20.245357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.245357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.245357 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.359 local terms energy: -18.886123 where: bonds (distance) C4'-P energy: -4.431 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -3.355 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: 4, replica: 9 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -22.761255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.761255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.761255 (E_RNA) where: Base-Base interactions energy: -4.123 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.102 local terms energy: -18.536116 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -2.326 flat angles P-C4'-P energy: -3.592 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: 5, replica: 10 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -21.294142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.294142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.294142 (E_RNA) where: Base-Base interactions energy: -3.552 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -17.727406 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.273 flat angles P-C4'-P energy: -4.631 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: 6, replica: 2 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -20.665925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.665925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.665925 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.101 local terms energy: -20.564755 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -4.091 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: 7, replica: 8 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -19.122326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.122326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.122326 (E_RNA) where: Base-Base interactions energy: 0.958 where: short stacking energy: 0.558 Base-Backbone interact. energy: -0.173 local terms energy: -19.907827 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -3.201 tors. eta vs tors. theta energy: -0.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -22.046007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.046007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.046007 (E_RNA) where: Base-Base interactions energy: -3.471 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -18.475715 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.015 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: 1.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -18.315087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.315087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.315087 (E_RNA) where: Base-Base interactions energy: -5.580 where: short stacking energy: 0.000 Base-Backbone interact. energy: 1.310 local terms energy: -14.045526 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -4.072 tors. eta vs tors. theta energy: 5.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -19.348081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.348081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.348081 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.347575 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.278 flat angles P-C4'-P energy: -3.271 tors. eta vs tors. theta energy: 0.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -23.398201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.398201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.398201 (E_RNA) where: Base-Base interactions energy: -6.178 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.071 local terms energy: -17.149114 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -3.215 flat angles P-C4'-P energy: -4.191 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: 3 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -21.764000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.764000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.764000 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.763946 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -4.025 tors. eta vs tors. theta energy: -2.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -21.691642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.691642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.691642 (E_RNA) where: Base-Base interactions energy: -4.081 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -17.599528 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -2.969 tors. eta vs tors. theta energy: 2.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -21.014781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.014781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.014781 (E_RNA) where: Base-Base interactions energy: -3.984 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.228 local terms energy: -16.803417 where: bonds (distance) C4'-P energy: -3.429 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.692 flat angles P-C4'-P energy: -4.080 tors. eta vs tors. theta energy: 1.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -20.206644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.206644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.206644 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -20.116596 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.053 flat angles P-C4'-P energy: -4.801 tors. eta vs tors. theta energy: 0.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -18.706888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.706888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.706888 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -18.691748 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -4.061 tors. eta vs tors. theta energy: 2.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -19.199045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.199045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.199045 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.165 local terms energy: -19.034245 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.907 flat angles P-C4'-P energy: -3.629 tors. eta vs tors. theta energy: -0.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -20.980786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.980786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.980786 (E_RNA) where: Base-Base interactions energy: -2.301 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -18.657430 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -5.431 flat angles P-C4'-P energy: -2.502 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: 9, replica: 6 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -20.626732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.626732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.626732 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.087 local terms energy: -20.539659 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.987 flat angles P-C4'-P energy: -4.277 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: 5 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -17.629591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.629591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.629591 (E_RNA) where: Base-Base interactions energy: 0.164 where: short stacking energy: 0.164 Base-Backbone interact. energy: -0.101 local terms energy: -17.692482 where: bonds (distance) C4'-P energy: -3.420 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.177 flat angles P-C4'-P energy: -3.030 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: 1, replica: 4 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -21.925409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.925409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.925409 (E_RNA) where: Base-Base interactions energy: -4.265 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.125 local terms energy: -16.535430 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -4.423 flat angles C4'-P-C4' energy: -4.926 flat angles P-C4'-P energy: -4.159 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: 2, replica: 3 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -20.771706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.771706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.771706 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.104 local terms energy: -20.667310 where: bonds (distance) C4'-P energy: -5.097 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.524 flat angles P-C4'-P energy: -4.002 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: 3, replica: 7 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -20.472055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.472055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.472055 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.088 local terms energy: -20.384108 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -3.805 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: 10 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -20.810464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.810464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.810464 (E_RNA) where: Base-Base interactions energy: 0.449 where: short stacking energy: 0.449 Base-Backbone interact. energy: -0.032 local terms energy: -21.228213 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.686 flat angles P-C4'-P energy: -4.152 tors. eta vs tors. theta energy: -1.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -20.017736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.017736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.017736 (E_RNA) where: Base-Base interactions energy: -2.814 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.389 local terms energy: -16.814328 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -3.215 flat angles P-C4'-P energy: -3.424 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: 6, replica: 9 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -20.462327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.462327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.462327 (E_RNA) where: Base-Base interactions energy: -3.070 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -17.388189 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -2.546 flat angles P-C4'-P energy: -3.658 tors. eta vs tors. theta energy: -2.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -20.295548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.295548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.295548 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.293183 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.856 flat angles P-C4'-P energy: -4.084 tors. eta vs tors. theta energy: -0.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -19.804899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.804899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.804899 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -19.776837 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.884 flat angles P-C4'-P energy: -3.527 tors. eta vs tors. theta energy: -0.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -21.147469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.147469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.147469 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.101 local terms energy: -21.046032 where: bonds (distance) C4'-P energy: -3.942 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -4.040 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: 6 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -21.051584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.051584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.051584 (E_RNA) where: Base-Base interactions energy: 1.023 where: short stacking energy: 1.023 Base-Backbone interact. energy: -0.000 local terms energy: -22.074834 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -4.951 flat angles C4'-P-C4' energy: -5.176 flat angles P-C4'-P energy: -2.270 tors. eta vs tors. theta energy: -4.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -23.768146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.768146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.768146 (E_RNA) where: Base-Base interactions energy: -8.307 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.136 local terms energy: -15.325320 where: bonds (distance) C4'-P energy: -4.832 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -3.736 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: 2, replica: 7 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -21.127438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.127438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.127438 (E_RNA) where: Base-Base interactions energy: -3.501 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -17.615053 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.018 flat angles P-C4'-P energy: -2.831 tors. eta vs tors. theta energy: 0.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -22.564526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.564526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.564526 (E_RNA) where: Base-Base interactions energy: -5.786 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.104 local terms energy: -16.674340 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.493 flat angles P-C4'-P energy: -3.775 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: 4, replica: 10 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -23.283335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.283335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.283335 (E_RNA) where: Base-Base interactions energy: -4.992 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.078 local terms energy: -18.212748 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.000 flat angles P-C4'-P energy: -3.256 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: 5, replica: 8 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -21.366298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.366298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.366298 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.182 local terms energy: -20.184292 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -3.962 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: 6, replica: 1 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -20.329473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.329473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.329473 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.111 local terms energy: -20.218411 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.868 flat angles P-C4'-P energy: -3.704 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: 7, replica: 9 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -20.703569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.703569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.703569 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.703553 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.823 flat angles P-C4'-P energy: -4.343 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: 5 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -19.650003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.650003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.650003 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.649963 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.173 flat angles C4'-P-C4' energy: -4.340 flat angles P-C4'-P energy: -3.725 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: 9, replica: 2 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -21.973712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.973712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.973712 (E_RNA) where: Base-Base interactions energy: -5.172 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.034 local terms energy: -16.767813 where: bonds (distance) C4'-P energy: -1.607 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.115 flat angles P-C4'-P energy: -3.239 tors. eta vs tors. theta energy: -0.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -19.169819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.169819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.169819 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.168594 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -2.232 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: 1, replica: 7 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -24.290733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.290733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.290733 (E_RNA) where: Base-Base interactions energy: -1.312 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -22.974198 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -5.058 flat angles P-C4'-P energy: -4.074 tors. eta vs tors. theta energy: -3.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -22.361058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.361058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.361058 (E_RNA) where: Base-Base interactions energy: -4.359 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.215 local terms energy: -17.786999 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -1.919 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: 10 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -22.998270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.998270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.998270 (E_RNA) where: Base-Base interactions energy: -5.246 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.048 local terms energy: -17.704753 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -4.538 flat angles C4'-P-C4' energy: -5.220 flat angles P-C4'-P energy: -3.606 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: 4, replica: 3 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -21.011550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.011550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.011550 (E_RNA) where: Base-Base interactions energy: 0.430 where: short stacking energy: 0.430 Base-Backbone interact. energy: -0.000 local terms energy: -21.441511 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.900 flat angles P-C4'-P energy: -4.195 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: 5, replica: 1 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -19.721750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.721750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.721750 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -19.686434 where: bonds (distance) C4'-P energy: -4.289 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -3.061 tors. eta vs tors. theta energy: -0.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -20.549696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.549696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.549696 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.549689 where: bonds (distance) C4'-P energy: -3.814 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.250 flat angles P-C4'-P energy: -3.297 tors. eta vs tors. theta energy: -3.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -22.092698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.092698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.092698 (E_RNA) where: Base-Base interactions energy: 0.824 where: short stacking energy: 0.824 Base-Backbone interact. energy: -0.000 local terms energy: -22.917049 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.558 flat angles P-C4'-P energy: -3.381 tors. eta vs tors. theta energy: -3.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -20.598090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.598090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.598090 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.024 local terms energy: -20.574273 where: bonds (distance) C4'-P energy: -4.903 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.473 flat angles P-C4'-P energy: -4.438 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: 9, replica: 6 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -20.742794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.742794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.742794 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.742779 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.709 flat angles P-C4'-P energy: -4.597 tors. eta vs tors. theta energy: -1.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -20.826632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.826632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.826632 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.825534 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -4.200 tors. eta vs tors. theta energy: -0.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -23.358706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.358706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.358706 (E_RNA) where: Base-Base interactions energy: -5.909 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.198 local terms energy: -17.251030 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.274 flat angles P-C4'-P energy: -4.252 tors. eta vs tors. theta energy: 1.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -23.829182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.829182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.829182 (E_RNA) where: Base-Base interactions energy: -6.005 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.046 local terms energy: -17.777967 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -3.910 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: 3, replica: 10 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -21.045038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.045038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.045038 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.262 local terms energy: -20.783184 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -2.907 tors. eta vs tors. theta energy: -2.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -21.309742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.309742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.309742 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -21.250928 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.923 flat angles P-C4'-P energy: -3.293 tors. eta vs tors. theta energy: -2.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -21.380661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.380661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.380661 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -21.375275 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -4.652 flat angles P-C4'-P energy: -4.350 tors. eta vs tors. theta energy: -2.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -20.334624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.334624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.334624 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.334621 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -2.807 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: 7, replica: 8 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -21.812384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.812384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.812384 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.811968 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -4.222 tors. eta vs tors. theta energy: -1.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -22.332444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.332444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.332444 (E_RNA) where: Base-Base interactions energy: -5.336 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.049 local terms energy: -16.947160 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -4.906 flat angles P-C4'-P energy: -2.175 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: 9, replica: 9 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -19.992678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.992678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.992678 (E_RNA) where: Base-Base interactions energy: 0.202 where: short stacking energy: 0.202 Base-Backbone interact. energy: -0.000 local terms energy: -20.194786 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -2.282 tors. eta vs tors. theta energy: -2.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -19.529560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.529560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.529560 (E_RNA) where: Base-Base interactions energy: -2.605 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -16.922764 where: bonds (distance) C4'-P energy: -3.900 bonds (distance) P-C4' energy: -3.958 flat angles C4'-P-C4' energy: -3.353 flat angles P-C4'-P energy: -4.024 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: 1, replica: 4 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -21.105286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.105286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.105286 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.077 local terms energy: -21.028530 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -4.324 tors. eta vs tors. theta energy: -1.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -22.338595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.338595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.338595 (E_RNA) where: Base-Base interactions energy: -6.037 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.005 local terms energy: -16.295926 where: bonds (distance) C4'-P energy: -3.756 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.746 flat angles P-C4'-P energy: -3.450 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: 1 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -24.146213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.146213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.146213 (E_RNA) where: Base-Base interactions energy: -3.296 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.038 local terms energy: -20.812367 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -4.361 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: 4, replica: 10 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -20.666179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.666179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.666179 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -20.604869 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -3.225 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: 5, replica: 5 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -21.577592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.577592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.577592 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.078 local terms energy: -21.499752 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -4.116 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: 3 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -20.408527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.408527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.408527 (E_RNA) where: Base-Base interactions energy: -5.162 where: short stacking energy: 0.049 Base-Backbone interact. energy: -0.161 local terms energy: -15.085374 where: bonds (distance) C4'-P energy: -2.791 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.875 flat angles P-C4'-P energy: -2.686 tors. eta vs tors. theta energy: 1.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -18.759997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.759997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.759997 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.759746 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.904 flat angles P-C4'-P energy: -2.876 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: 8, replica: 8 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -20.447193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.447193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.447193 (E_RNA) where: Base-Base interactions energy: -5.259 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.177 local terms energy: -15.011265 where: bonds (distance) C4'-P energy: -3.350 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -2.991 flat angles P-C4'-P energy: -2.802 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: 2 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -19.337721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.337721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.337721 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -19.326882 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.208 flat angles P-C4'-P energy: -4.248 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: 10, replica: 9 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -19.139956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.139956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.139956 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.088 local terms energy: -19.051779 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -5.594 flat angles P-C4'-P energy: -4.779 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: 1, replica: 4 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -23.841823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.841823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.841823 (E_RNA) where: Base-Base interactions energy: -3.515 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -20.311817 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.784 flat angles P-C4'-P energy: -4.545 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: 2, replica: 1 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -23.108499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.108499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.108499 (E_RNA) where: Base-Base interactions energy: 0.102 where: short stacking energy: 0.102 Base-Backbone interact. energy: -0.000 local terms energy: -23.210253 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.027 flat angles P-C4'-P energy: -3.925 tors. eta vs tors. theta energy: -4.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -21.120507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.120507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.120507 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -21.112068 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.889 flat angles P-C4'-P energy: -3.982 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: 4, replica: 5 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -22.675344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.675344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.675344 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.675308 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -3.776 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: 5, replica: 10 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -20.100352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.100352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.100352 (E_RNA) where: Base-Base interactions energy: 0.026 where: short stacking energy: 0.026 Base-Backbone interact. energy: -0.100 local terms energy: -20.026886 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -2.458 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: 6, replica: 6 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -20.605335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.605335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.605335 (E_RNA) where: Base-Base interactions energy: -0.936 where: short stacking energy: 0.091 Base-Backbone interact. energy: -0.057 local terms energy: -19.611453 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -4.811 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -4.435 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: 7, replica: 3 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -19.386961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.386961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.386961 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -19.302711 where: bonds (distance) C4'-P energy: -4.281 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.553 flat angles P-C4'-P energy: -4.304 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: 2 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -18.859248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.859248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.859248 (E_RNA) where: Base-Base interactions energy: -1.508 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.385 local terms energy: -16.966826 where: bonds (distance) C4'-P energy: -4.289 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -3.073 tors. eta vs tors. theta energy: 1.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -19.944622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.944622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.944622 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -19.922271 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -4.072 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: 10, replica: 9 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -18.476244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.476244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.476244 (E_RNA) where: Base-Base interactions energy: -3.517 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.256 local terms energy: -15.214859 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.236 flat angles P-C4'-P energy: -2.475 tors. eta vs tors. theta energy: 2.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -20.403986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.403986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.403986 (E_RNA) where: Base-Base interactions energy: -1.100 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -19.289027 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -5.294 flat angles P-C4'-P energy: -3.287 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: 2, replica: 4 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -20.731724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.731724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.731724 (E_RNA) where: Base-Base interactions energy: -3.937 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.215 local terms energy: -17.010369 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -3.995 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: -3.162 tors. eta vs tors. theta energy: -0.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -21.977294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.977294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.977294 (E_RNA) where: Base-Base interactions energy: -2.747 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.228849 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -2.837 tors. eta vs tors. theta energy: -1.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -20.374317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.374317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.374317 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.373962 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -5.278 flat angles P-C4'-P energy: -3.391 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: 5, replica: 6 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -21.195410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.195410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.195410 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.195410 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.855 flat angles P-C4'-P energy: -3.742 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: 6, replica: 10 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -18.962782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.962782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.962782 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.551 local terms energy: -19.513720 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -3.540 flat angles C4'-P-C4' energy: -5.401 flat angles P-C4'-P energy: -4.117 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: 7, replica: 2 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -19.545700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.545700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.545700 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -19.451790 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.161 flat angles P-C4'-P energy: -3.493 tors. eta vs tors. theta energy: -0.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -19.422221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.422221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.422221 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.422220 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -2.850 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: 9, replica: 8 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -20.412766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.412766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.412766 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -20.384947 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -1.491 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: 10, replica: 9 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -21.318482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.318482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.318482 (E_RNA) where: Base-Base interactions energy: -4.363 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.057 local terms energy: -16.898769 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.460 flat angles C4'-P-C4' energy: -4.494 flat angles P-C4'-P energy: -2.694 tors. eta vs tors. theta energy: 0.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -23.750044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.750044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.750044 (E_RNA) where: Base-Base interactions energy: -2.767 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.190 local terms energy: -20.793264 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.792 flat angles P-C4'-P energy: -2.535 tors. eta vs tors. theta energy: -3.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -22.203202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.203202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.203202 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.024 local terms energy: -21.178734 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.105 flat angles P-C4'-P energy: -3.088 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: 4 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -20.691647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.691647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.691647 (E_RNA) where: Base-Base interactions energy: 0.241 where: short stacking energy: 0.241 Base-Backbone interact. energy: -0.003 local terms energy: -20.930460 where: bonds (distance) C4'-P energy: -4.253 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -4.096 tors. eta vs tors. theta energy: -1.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -21.999768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.999768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.999768 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.999756 where: bonds (distance) C4'-P energy: -4.261 bonds (distance) P-C4' energy: -4.740 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -3.888 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: 5, replica: 5 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -19.905605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.905605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.905605 (E_RNA) where: Base-Base interactions energy: -0.290 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -19.592814 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.447 flat angles P-C4'-P energy: -2.697 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: 6, replica: 2 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -20.304686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.304686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.304686 (E_RNA) where: Base-Base interactions energy: -0.760 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.544531 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.456 flat angles P-C4'-P energy: -3.146 tors. eta vs tors. theta energy: -0.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -18.397332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.397332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.397332 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.132 local terms energy: -18.265591 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.822 flat angles P-C4'-P energy: -4.202 tors. eta vs tors. theta energy: 0.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -21.542819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.542819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.542819 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.807 local terms energy: -20.736235 where: bonds (distance) C4'-P energy: -3.809 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.421 flat angles P-C4'-P energy: -4.616 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: 9, replica: 3 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -20.012422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.012422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.012422 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -19.990492 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -3.571 tors. eta vs tors. theta energy: -0.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -18.680167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.680167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.680167 (E_RNA) where: Base-Base interactions energy: -5.934 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.047 local terms energy: -12.699595 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -0.580 flat angles P-C4'-P energy: -3.905 tors. eta vs tors. theta energy: 1.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -22.790069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.790069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.790069 (E_RNA) where: Base-Base interactions energy: -3.943 where: short stacking energy: 0.700 Base-Backbone interact. energy: -0.015 local terms energy: -18.832098 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.740 flat angles P-C4'-P energy: -2.638 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: 1 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -20.472471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.472471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.472471 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.470444 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.792 flat angles P-C4'-P energy: -4.665 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: 3, replica: 6 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -23.356534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.356534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.356534 (E_RNA) where: Base-Base interactions energy: -5.517 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -17.825707 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.991 flat angles P-C4'-P energy: -3.756 tors. eta vs tors. theta energy: 1.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -20.743873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.743873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.743873 (E_RNA) where: Base-Base interactions energy: -3.255 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -17.405070 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -4.973 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -2.891 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: 5, replica: 2 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -21.668922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.668922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.668922 (E_RNA) where: Base-Base interactions energy: -4.794 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -16.775786 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -5.187 flat angles P-C4'-P energy: -4.227 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: 6, replica: 5 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -20.204977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.204977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.204977 (E_RNA) where: Base-Base interactions energy: 0.418 where: short stacking energy: 0.418 Base-Backbone interact. energy: -0.019 local terms energy: -20.604041 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -4.122 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: 222 Temperature: 1.200000 Total energy: -20.168088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.168088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.168088 (E_RNA) where: Base-Base interactions energy: 0.009 where: short stacking energy: 0.009 Base-Backbone interact. energy: -0.006 local terms energy: -20.171560 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -3.903 flat angles P-C4'-P energy: -4.356 tors. eta vs tors. theta energy: -2.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -22.103452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.103452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.103452 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.103380 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -4.624 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: 222 Temperature: 1.300000 Total energy: -19.759642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.759642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.759642 (E_RNA) where: Base-Base interactions energy: -4.317 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -15.429140 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -1.698 tors. eta vs tors. theta energy: 1.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -19.971287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.971287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.971287 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.072 local terms energy: -19.899181 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.411 flat angles P-C4'-P energy: -2.347 tors. eta vs tors. theta energy: -2.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -22.868837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.868837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.868837 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.039 local terms energy: -22.829555 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -4.406 tors. eta vs tors. theta energy: -1.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -21.915503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.915503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.915503 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.038 local terms energy: -21.877307 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.755 flat angles P-C4'-P energy: -4.236 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: 3, replica: 1 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -20.513072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.513072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.513072 (E_RNA) where: Base-Base interactions energy: -0.898 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -19.608542 where: bonds (distance) C4'-P energy: -4.161 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -3.730 tors. eta vs tors. theta energy: -0.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -21.716523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.716523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.716523 (E_RNA) where: Base-Base interactions energy: -1.386 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -20.240347 where: bonds (distance) C4'-P energy: -4.207 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.057 flat angles P-C4'-P energy: -4.284 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: 5, replica: 4 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -19.302338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.302338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.302338 (E_RNA) where: Base-Base interactions energy: 0.294 where: short stacking energy: 0.294 Base-Backbone interact. energy: -0.009 local terms energy: -19.587972 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -3.408 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: 6, replica: 8 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -20.256596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.256596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.256596 (E_RNA) where: Base-Base interactions energy: -3.295 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.122 local terms energy: -16.839538 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.992 flat angles P-C4'-P energy: -2.660 tors. eta vs tors. theta energy: 2.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -20.202242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.202242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.202242 (E_RNA) where: Base-Base interactions energy: -0.443 where: short stacking energy: 0.019 Base-Backbone interact. energy: -0.495 local terms energy: -19.263852 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.512 flat angles P-C4'-P energy: -4.073 tors. eta vs tors. theta energy: 0.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -18.275201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.275201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.275201 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -18.247549 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -3.398 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: 9, replica: 10 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -18.715730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.715730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.715730 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.115174 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.747 flat angles P-C4'-P energy: -2.578 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: 10, replica: 3 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -19.694233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.694233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.694233 (E_RNA) where: Base-Base interactions energy: -0.440 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.088 local terms energy: -19.166344 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -3.654 flat angles P-C4'-P energy: -2.153 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: 1, replica: 6 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -21.023121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.023121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.023121 (E_RNA) where: Base-Base interactions energy: -4.921 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -16.083796 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -1.699 flat angles P-C4'-P energy: -2.407 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: 7 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -21.824909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.824909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.824909 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.824847 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.891 flat angles P-C4'-P energy: -3.635 tors. eta vs tors. theta energy: -2.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -22.967338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.967338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.967338 (E_RNA) where: Base-Base interactions energy: -0.966 where: short stacking energy: 0.078 Base-Backbone interact. energy: -0.016 local terms energy: -21.985745 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -3.882 tors. eta vs tors. theta energy: -1.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -21.145196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.145196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.145196 (E_RNA) where: Base-Base interactions energy: -2.875 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -18.261144 where: bonds (distance) C4'-P energy: -4.236 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -2.429 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: 8 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -20.214260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.214260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.214260 (E_RNA) where: Base-Base interactions energy: -1.714 where: short stacking energy: 0.588 Base-Backbone interact. energy: 0.488 local terms energy: -18.988304 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -1.771 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: 6, replica: 4 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -20.662418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.662418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.662418 (E_RNA) where: Base-Base interactions energy: -0.024 where: short stacking energy: 0.027 Base-Backbone interact. energy: -0.102 local terms energy: -20.536134 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -5.538 flat angles P-C4'-P energy: -3.934 tors. eta vs tors. theta energy: -0.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -20.082693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.082693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.082693 (E_RNA) where: Base-Base interactions energy: -0.462 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.615637 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -3.815 flat angles P-C4'-P energy: -4.505 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: 8, replica: 5 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -18.582975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.582975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.582975 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -18.578388 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.322 flat angles P-C4'-P energy: -3.948 tors. eta vs tors. theta energy: 0.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -18.917558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.917558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.917558 (E_RNA) where: Base-Base interactions energy: 0.093 where: short stacking energy: 0.093 Base-Backbone interact. energy: -0.058 local terms energy: -18.952883 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.548 flat angles P-C4'-P energy: -4.683 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: 224 Temperature: 1.350000 Total energy: -20.394883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.394883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.394883 (E_RNA) where: Base-Base interactions energy: -2.828 where: short stacking energy: 0.006 Base-Backbone interact. energy: -0.000 local terms energy: -17.567008 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.942 flat angles P-C4'-P energy: -1.831 tors. eta vs tors. theta energy: -0.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -22.269896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.269896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.269896 (E_RNA) where: Base-Base interactions energy: 0.041 where: short stacking energy: 0.041 Base-Backbone interact. energy: -0.000 local terms energy: -22.311382 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.551 flat angles P-C4'-P energy: -3.661 tors. eta vs tors. theta energy: -3.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -23.096391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.096391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.096391 (E_RNA) where: Base-Base interactions energy: -4.630 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.024 local terms energy: -18.441479 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.837 flat angles P-C4'-P energy: -3.618 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: 3, replica: 7 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -20.084364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.084364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.084364 (E_RNA) where: Base-Base interactions energy: 0.133 where: short stacking energy: 0.133 Base-Backbone interact. energy: -0.000 local terms energy: -20.217451 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.244 flat angles P-C4'-P energy: -3.050 tors. eta vs tors. theta energy: -3.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -21.144224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.144224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.144224 (E_RNA) where: Base-Base interactions energy: -5.072 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.382 local terms energy: -16.453401 where: bonds (distance) C4'-P energy: -3.731 bonds (distance) P-C4' energy: -4.252 flat angles C4'-P-C4' energy: -4.829 flat angles P-C4'-P energy: -3.324 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: 5, replica: 1 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -20.214074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.214074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.214074 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.463 local terms energy: -19.750627 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.388 flat angles P-C4'-P energy: -3.918 tors. eta vs tors. theta energy: 0.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -20.204033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.204033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.204033 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.289 local terms energy: -20.493140 where: bonds (distance) C4'-P energy: -2.026 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.951 flat angles P-C4'-P energy: -4.326 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: 7, replica: 4 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -23.544855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.544855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.544855 (E_RNA) where: Base-Base interactions energy: -1.412 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -22.131171 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -3.505 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: 8, replica: 3 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -19.100732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.100732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.100732 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.421 local terms energy: -18.679623 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.382 flat angles P-C4'-P energy: -2.201 tors. eta vs tors. theta energy: -0.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -19.016414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.016414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.016414 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.014694 where: bonds (distance) C4'-P energy: -5.143 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.251 flat angles P-C4'-P energy: -3.933 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: 10 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -19.296393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.296393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.296393 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.296357 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.836 flat angles P-C4'-P energy: -3.641 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: 1, replica: 2 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -21.311923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.311923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.311923 (E_RNA) where: Base-Base interactions energy: 0.392 where: short stacking energy: 0.392 Base-Backbone interact. energy: -0.000 local terms energy: -21.703949 where: bonds (distance) C4'-P energy: -3.366 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -3.985 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: 2, replica: 6 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -20.913859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.913859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.913859 (E_RNA) where: Base-Base interactions energy: -0.111 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.802743 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -2.809 tors. eta vs tors. theta energy: -1.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -21.402763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.402763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.402763 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.402741 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -4.057 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: 4, replica: 7 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -22.065718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.065718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.065718 (E_RNA) where: Base-Base interactions energy: -5.057 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -16.913055 where: bonds (distance) C4'-P energy: -4.273 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.006 flat angles P-C4'-P energy: -2.025 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: 5, replica: 9 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -23.077389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.077389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.077389 (E_RNA) where: Base-Base interactions energy: -4.426 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.277 local terms energy: -18.374081 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -5.293 flat angles P-C4'-P energy: -3.966 tors. eta vs tors. theta energy: -0.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -21.322060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.322060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.322060 (E_RNA) where: Base-Base interactions energy: -5.159 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.457 local terms energy: -15.705643 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.496 flat angles P-C4'-P energy: -2.781 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: 7, replica: 3 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -21.331853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.331853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.331853 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -21.324612 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.244 flat angles P-C4'-P energy: -4.025 tors. eta vs tors. theta energy: -0.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -20.020684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.020684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.020684 (E_RNA) where: Base-Base interactions energy: -0.626 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.365 local terms energy: -19.029418 where: bonds (distance) C4'-P energy: -4.191 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.611 flat angles P-C4'-P energy: -1.711 tors. eta vs tors. theta energy: -1.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -18.874274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.874274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.874274 (E_RNA) where: Base-Base interactions energy: -2.648 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.131 local terms energy: -16.095584 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -4.258 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -2.157 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: 10, replica: 5 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -19.483009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.483009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.483009 (E_RNA) where: Base-Base interactions energy: -5.777 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.205 local terms energy: -13.501587 where: bonds (distance) C4'-P energy: -3.233 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -3.781 flat angles P-C4'-P energy: -2.531 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: 1, replica: 2 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -20.417312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.417312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.417312 (E_RNA) where: Base-Base interactions energy: -1.336 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.080 local terms energy: -19.001818 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.838 flat angles P-C4'-P energy: -3.758 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: 2, replica: 8 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -22.571432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.571432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.571432 (E_RNA) where: Base-Base interactions energy: -6.841 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.036 local terms energy: -15.695075 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -3.289 flat angles P-C4'-P energy: -2.859 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: 3, replica: 6 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -20.727402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.727402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.727402 (E_RNA) where: Base-Base interactions energy: -1.924 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.801679 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.971 flat angles P-C4'-P energy: -2.809 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: 4, replica: 9 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -18.835342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.835342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.835342 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -18.824804 where: bonds (distance) C4'-P energy: -4.687 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.445 flat angles P-C4'-P energy: -4.076 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: 7 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -21.142892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.142892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.142892 (E_RNA) where: Base-Base interactions energy: 0.048 where: short stacking energy: 0.048 Base-Backbone interact. energy: -0.000 local terms energy: -21.190611 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -4.780 flat angles C4'-P-C4' energy: -4.727 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -3.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -20.072780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.072780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.072780 (E_RNA) where: Base-Base interactions energy: -2.566 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.103 local terms energy: -17.609139 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.128 flat angles P-C4'-P energy: -4.128 tors. eta vs tors. theta energy: 1.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -21.113511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.113511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.113511 (E_RNA) where: Base-Base interactions energy: -3.248 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -17.855122 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -4.463 flat angles P-C4'-P energy: -3.075 tors. eta vs tors. theta energy: 0.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -19.617271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.617271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.617271 (E_RNA) where: Base-Base interactions energy: -1.448 where: short stacking energy: 0.199 Base-Backbone interact. energy: -0.001 local terms energy: -18.168354 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.105 flat angles P-C4'-P energy: -1.698 tors. eta vs tors. theta energy: -0.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -18.224723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.224723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.224723 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.315 local terms energy: -17.910053 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.047 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -4.306 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: 10, replica: 5 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -18.667764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.667764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.667764 (E_RNA) where: Base-Base interactions energy: -2.704 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.019 local terms energy: -15.944519 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -1.824 tors. eta vs tors. theta energy: 0.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -22.608864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.608864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.608864 (E_RNA) where: Base-Base interactions energy: -5.662 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.065 local terms energy: -16.882310 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -2.762 tors. eta vs tors. theta energy: 2.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -21.061424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.061424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.061424 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -21.046552 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.993 flat angles P-C4'-P energy: -3.042 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: 9 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -23.137728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.137728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.137728 (E_RNA) where: Base-Base interactions energy: -3.871 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.179 local terms energy: -19.087724 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -4.258 tors. eta vs tors. theta energy: 0.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -20.460083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.460083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.460083 (E_RNA) where: Base-Base interactions energy: -5.946 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -14.511189 where: bonds (distance) C4'-P energy: -4.431 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.931 flat angles P-C4'-P energy: -2.503 tors. eta vs tors. theta energy: 1.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -19.653392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.653392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.653392 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.175 local terms energy: -19.478083 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -4.969 flat angles C4'-P-C4' energy: -5.264 flat angles P-C4'-P energy: -3.790 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: 6, replica: 7 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -19.445217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.445217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.445217 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -19.361690 where: bonds (distance) C4'-P energy: -5.312 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.208 flat angles P-C4'-P energy: -3.801 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: 7, replica: 10 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -20.176124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.176124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.176124 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.268 local terms energy: -19.907947 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.588 flat angles P-C4'-P energy: -4.908 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: 1 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -18.567736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.567736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.567736 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -18.563370 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.598 flat angles P-C4'-P energy: -4.231 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: 5 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -20.578993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.578993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.578993 (E_RNA) where: Base-Base interactions energy: 0.129 where: short stacking energy: 0.096 Base-Backbone interact. energy: -0.082 local terms energy: -20.625564 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -4.157 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -2.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -19.399735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.399735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.399735 (E_RNA) where: Base-Base interactions energy: -3.052 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.040 local terms energy: -16.306839 where: bonds (distance) C4'-P energy: -4.033 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.584 flat angles P-C4'-P energy: -4.273 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: 8 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -21.930052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.930052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.930052 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.929386 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.336 flat angles P-C4'-P energy: -3.725 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: 2, replica: 9 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -22.005138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.005138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.005138 (E_RNA) where: Base-Base interactions energy: -1.473 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.101 local terms energy: -20.432050 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -4.037 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: 3, replica: 2 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -22.345712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.345712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.345712 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.345456 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -4.058 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: 3 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -22.300555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.300555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.300555 (E_RNA) where: Base-Base interactions energy: -4.599 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.037 local terms energy: -17.664601 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.037 flat angles P-C4'-P energy: -4.017 tors. eta vs tors. theta energy: 2.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -21.129915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.129915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.129915 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.129887 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -2.745 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -2.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -22.175180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.175180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.175180 (E_RNA) where: Base-Base interactions energy: -2.593 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -19.491315 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.279 flat angles P-C4'-P energy: -3.138 tors. eta vs tors. theta energy: -0.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -21.624182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.624182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.624182 (E_RNA) where: Base-Base interactions energy: -2.627 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.392 local terms energy: -18.604981 where: bonds (distance) C4'-P energy: -3.623 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -3.892 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: 8, replica: 5 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -20.700417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.700417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.700417 (E_RNA) where: Base-Base interactions energy: -1.718 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -18.953715 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -3.806 flat angles P-C4'-P energy: -4.809 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: 1 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -19.957335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.957335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.957335 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -19.928034 where: bonds (distance) C4'-P energy: -4.181 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.377 flat angles P-C4'-P energy: -4.109 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: 4 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -20.092241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.092241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.092241 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.091545 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.768 flat angles P-C4'-P energy: -4.468 tors. eta vs tors. theta energy: -0.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -20.579362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.579362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.579362 (E_RNA) where: Base-Base interactions energy: -3.912 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.188 local terms energy: -16.479692 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -3.969 flat angles P-C4'-P energy: -4.152 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: 2, replica: 8 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -26.580856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.580856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.580856 (E_RNA) where: Base-Base interactions energy: -5.284 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.052 local terms energy: -21.245026 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.305 flat angles C4'-P-C4' energy: -5.525 flat angles P-C4'-P energy: -4.721 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: 3, replica: 3 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -22.226591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.226591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.226591 (E_RNA) where: Base-Base interactions energy: -1.360 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.866089 where: bonds (distance) C4'-P energy: -4.261 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.188 flat angles P-C4'-P energy: -2.792 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: 4, replica: 2 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -21.055527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.055527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.055527 (E_RNA) where: Base-Base interactions energy: -1.942 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.102 local terms energy: -19.011212 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -4.780 flat angles C4'-P-C4' energy: -5.374 flat angles P-C4'-P energy: -4.236 tors. eta vs tors. theta energy: -0.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -19.565424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.565424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.565424 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.562093 where: bonds (distance) C4'-P energy: -3.545 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.121 flat angles P-C4'-P energy: -4.320 tors. eta vs tors. theta energy: -1.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -22.929472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.929472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.929472 (E_RNA) where: Base-Base interactions energy: -1.657 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.271572 where: bonds (distance) C4'-P energy: -2.824 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -4.448 flat angles P-C4'-P energy: -4.355 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: 7, replica: 5 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -21.115617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.115617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.115617 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -21.108212 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -4.452 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -2.835 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: 8, replica: 7 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -19.254357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.254357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.254357 (E_RNA) where: Base-Base interactions energy: 0.842 where: short stacking energy: 0.842 Base-Backbone interact. energy: -0.090 local terms energy: -20.006207 where: bonds (distance) C4'-P energy: -4.625 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.727 flat angles P-C4'-P energy: -3.308 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: 9, replica: 4 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -22.418076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.418076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.418076 (E_RNA) where: Base-Base interactions energy: -4.676 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.102 local terms energy: -17.640249 where: bonds (distance) C4'-P energy: -3.271 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -3.559 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: 10, replica: 1 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -19.267714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.267714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.267714 (E_RNA) where: Base-Base interactions energy: 0.185 where: short stacking energy: 0.185 Base-Backbone interact. energy: -0.034 local terms energy: -19.418075 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.263 flat angles P-C4'-P energy: -3.388 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: 1, replica: 9 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -22.883552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.883552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.883552 (E_RNA) where: Base-Base interactions energy: -6.211 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.103 local terms energy: -16.569832 where: bonds (distance) C4'-P energy: -4.459 bonds (distance) P-C4' energy: -5.265 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -2.615 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: 2, replica: 3 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -22.392895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.392895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.392895 (E_RNA) where: Base-Base interactions energy: -1.962 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -20.415461 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.294 flat angles P-C4'-P energy: -3.084 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: 8 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -21.553664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.553664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.553664 (E_RNA) where: Base-Base interactions energy: 0.013 where: short stacking energy: 0.013 Base-Backbone interact. energy: -0.001 local terms energy: -21.565138 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -5.490 flat angles P-C4'-P energy: -3.450 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: 4, replica: 6 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -23.049590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.049590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.049590 (E_RNA) where: Base-Base interactions energy: -5.585 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.046 local terms energy: -17.418501 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.811 flat angles C4'-P-C4' energy: -4.478 flat angles P-C4'-P energy: -4.619 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: 5, replica: 2 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -19.748429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.748429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.748429 (E_RNA) where: Base-Base interactions energy: 0.029 where: short stacking energy: 0.029 Base-Backbone interact. energy: -0.001 local terms energy: -19.776774 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.103 flat angles P-C4'-P energy: -3.671 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: 10 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -19.041677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.041677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.041677 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -19.025742 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -4.586 flat angles P-C4'-P energy: -4.329 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: 7, replica: 5 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -20.456667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.456667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.456667 (E_RNA) where: Base-Base interactions energy: -0.627 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.828422 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.397 flat angles P-C4'-P energy: -3.769 tors. eta vs tors. theta energy: -1.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -20.488306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.488306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.488306 (E_RNA) where: Base-Base interactions energy: -0.033 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.060 local terms energy: -20.394946 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.482 flat angles P-C4'-P energy: -4.712 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: 9, replica: 7 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -19.598240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.598240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.598240 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.598231 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.030 flat angles P-C4'-P energy: -4.541 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: 1 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -21.727773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.727773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.727773 (E_RNA) where: Base-Base interactions energy: -5.532 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -16.096357 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -5.014 flat angles P-C4'-P energy: -2.908 tors. eta vs tors. theta energy: 2.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -22.529712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.529712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.529712 (E_RNA) where: Base-Base interactions energy: -2.050 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.477781 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -3.168 tors. eta vs tors. theta energy: -1.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -21.444951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.444951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.444951 (E_RNA) where: Base-Base interactions energy: -3.642 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.001 local terms energy: -17.801565 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.899 flat angles P-C4'-P energy: -3.008 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: 3, replica: 6 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -20.640737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.640737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.640737 (E_RNA) where: Base-Base interactions energy: -1.060 where: short stacking energy: 0.000 Base-Backbone interact. energy: -2.100 local terms energy: -17.480960 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.340 flat angles P-C4'-P energy: -3.986 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: 4, replica: 8 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -20.603458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.603458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.603458 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -20.504801 where: bonds (distance) C4'-P energy: -4.903 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.151 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -0.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 232 Temperature: 1.100000 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: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.548 local terms energy: -21.135678 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.456 flat angles P-C4'-P energy: -3.365 tors. eta vs tors. theta energy: -1.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -19.727252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.727252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.727252 (E_RNA) where: Base-Base interactions energy: 0.258 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -19.887132 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.725 flat angles P-C4'-P energy: -4.192 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: 7, replica: 4 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -20.058427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.058427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.058427 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.041 local terms energy: -20.017561 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.227 flat angles P-C4'-P energy: -3.841 tors. eta vs tors. theta energy: -0.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -19.121076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.121076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.121076 (E_RNA) where: Base-Base interactions energy: 0.034 where: short stacking energy: 0.034 Base-Backbone interact. energy: -0.032 local terms energy: -19.123517 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.699 flat angles P-C4'-P energy: -3.703 tors. eta vs tors. theta energy: -1.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -19.132623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.132623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.132623 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -19.109705 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.119 flat angles P-C4'-P energy: -3.053 tors. eta vs tors. theta energy: -0.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -19.439324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.439324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.439324 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.439050 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -3.838 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: 9 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -22.433294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.433294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.433294 (E_RNA) where: Base-Base interactions energy: -5.927 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.209 local terms energy: -16.715542 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.371 flat angles P-C4'-P energy: -1.842 tors. eta vs tors. theta energy: -0.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -22.970539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.970539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.970539 (E_RNA) where: Base-Base interactions energy: -2.423 where: short stacking energy: 0.253 Base-Backbone interact. energy: -0.037 local terms energy: -20.510588 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -3.905 flat angles P-C4'-P energy: -3.463 tors. eta vs tors. theta energy: -2.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -22.007755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.007755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.007755 (E_RNA) where: Base-Base interactions energy: -1.682 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -20.304433 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -3.785 flat angles P-C4'-P energy: -4.535 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: 233 Temperature: 1.050000 Total energy: -21.192169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.192169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.192169 (E_RNA) where: Base-Base interactions energy: -4.273 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.119 local terms energy: -16.799874 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.626 flat angles P-C4'-P energy: -4.018 tors. eta vs tors. theta energy: 1.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -21.676256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.676256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.676256 (E_RNA) where: Base-Base interactions energy: -0.844 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -20.748089 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -3.678 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: 6, replica: 4 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -20.530222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.530222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.530222 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.202 local terms energy: -20.328180 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.127 flat angles P-C4'-P energy: -3.641 tors. eta vs tors. theta energy: -0.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -20.326905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.326905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.326905 (E_RNA) where: Base-Base interactions energy: -4.021 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.220 local terms energy: -15.085898 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -5.537 flat angles P-C4'-P energy: -2.855 tors. eta vs tors. theta energy: 2.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -19.540507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.540507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.540507 (E_RNA) where: Base-Base interactions energy: -2.165 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.001 local terms energy: -17.374303 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.367 flat angles P-C4'-P energy: -4.486 tors. eta vs tors. theta energy: 0.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -19.326530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.326530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.326530 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.000 local terms energy: -19.626317 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.340 flat angles P-C4'-P energy: -4.569 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: 7 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -18.635238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.635238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.635238 (E_RNA) where: Base-Base interactions energy: 0.034 where: short stacking energy: 0.034 Base-Backbone interact. energy: -0.000 local terms energy: -18.669471 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -3.331 tors. eta vs tors. theta energy: 0.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -22.111515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.111515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.111515 (E_RNA) where: Base-Base interactions energy: -2.490 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.269 local terms energy: -19.352201 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.917 flat angles P-C4'-P energy: -4.379 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: 6 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -20.027683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.027683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.027683 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.200 local terms energy: -19.827381 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.193 flat angles P-C4'-P energy: -4.874 tors. eta vs tors. theta energy: 0.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -21.355239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.355239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.355239 (E_RNA) where: Base-Base interactions energy: 0.430 where: short stacking energy: 0.430 Base-Backbone interact. energy: -0.000 local terms energy: -21.785057 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -2.521 tors. eta vs tors. theta energy: -3.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -21.199243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.199243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.199243 (E_RNA) where: Base-Base interactions energy: -2.111 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.163 local terms energy: -18.924992 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.657 flat angles P-C4'-P energy: -3.911 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: 5, replica: 8 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -21.485346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.485346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.485346 (E_RNA) where: Base-Base interactions energy: -0.362 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.121933 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.146 flat angles P-C4'-P energy: -3.545 tors. eta vs tors. theta energy: -3.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -19.782504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.782504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.782504 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -19.751837 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.037 flat angles P-C4'-P energy: -3.580 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: 7, replica: 1 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -20.670854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.670854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.670854 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.082 local terms energy: -20.588518 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -3.871 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: 8, replica: 2 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -20.496109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.496109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.496109 (E_RNA) where: Base-Base interactions energy: -4.396 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -16.088640 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -3.233 flat angles P-C4'-P energy: -3.623 tors. eta vs tors. theta energy: 1.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -19.790517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.790517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.790517 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.652 local terms energy: -20.442061 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.845 flat angles P-C4'-P energy: -3.341 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: 5 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -20.396739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.396739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.396739 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.055 local terms energy: -20.341381 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -3.096 tors. eta vs tors. theta energy: -1.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -21.015334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.015334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.015334 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.176 local terms energy: -20.839072 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -3.774 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: 2, replica: 10 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -21.318878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.318878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.318878 (E_RNA) where: Base-Base interactions energy: -1.804 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.515174 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -3.589 flat angles P-C4'-P energy: -3.730 tors. eta vs tors. theta energy: -0.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -20.270313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.270313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.270313 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.082 local terms energy: -20.188194 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -3.375 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: 4, replica: 8 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -21.266955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.266955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.266955 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.266955 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -2.023 tors. eta vs tors. theta energy: -2.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -20.513201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.513201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.513201 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -20.508344 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.410 flat angles P-C4'-P energy: -4.344 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: 1 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -23.190798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.190798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.190798 (E_RNA) where: Base-Base interactions energy: -4.587 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.602551 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.149 flat angles P-C4'-P energy: -4.047 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: 7, replica: 4 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -19.536145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.536145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.536145 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.533402 where: bonds (distance) C4'-P energy: -3.287 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.462 flat angles P-C4'-P energy: -3.918 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: 8, replica: 7 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -20.158474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.158474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.158474 (E_RNA) where: Base-Base interactions energy: -1.248 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -18.907653 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.406 flat angles P-C4'-P energy: -2.861 tors. eta vs tors. theta energy: -1.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -18.827100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.827100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.827100 (E_RNA) where: Base-Base interactions energy: 0.005 where: short stacking energy: 0.005 Base-Backbone interact. energy: -0.073 local terms energy: -18.759733 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -2.873 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: 5 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -20.183910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.183910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.183910 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.178269 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -4.957 flat angles P-C4'-P energy: -3.156 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: 1, replica: 10 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -24.543181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.543181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.543181 (E_RNA) where: Base-Base interactions energy: -4.800 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -19.725204 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.431 flat angles P-C4'-P energy: -3.572 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: 2, replica: 9 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -23.835485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.835485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.835485 (E_RNA) where: Base-Base interactions energy: -5.219 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.424 local terms energy: -18.192431 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -4.569 tors. eta vs tors. theta energy: 2.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -21.785166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.785166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.785166 (E_RNA) where: Base-Base interactions energy: -5.145 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.901 local terms energy: -17.540988 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -2.510 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: 6 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -20.620770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.620770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.620770 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.042 local terms energy: -20.578853 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -3.653 tors. eta vs tors. theta energy: -0.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -20.889873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.889873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.889873 (E_RNA) where: Base-Base interactions energy: -1.939 where: short stacking energy: 0.429 Base-Backbone interact. energy: -0.000 local terms energy: -18.950420 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.611 flat angles P-C4'-P energy: -1.133 tors. eta vs tors. theta energy: -3.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -18.984873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.984873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.984873 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -18.886037 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -3.287 tors. eta vs tors. theta energy: 0.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -20.769592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.769592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.769592 (E_RNA) where: Base-Base interactions energy: 0.087 where: short stacking energy: 0.087 Base-Backbone interact. energy: -0.058 local terms energy: -20.798236 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.368 flat angles P-C4'-P energy: -3.139 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: 8, replica: 4 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -19.930601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.930601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.930601 (E_RNA) where: Base-Base interactions energy: 0.146 where: short stacking energy: 0.146 Base-Backbone interact. energy: -0.007 local terms energy: -20.069358 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -3.891 tors. eta vs tors. theta energy: -0.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -19.280146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.280146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.280146 (E_RNA) where: Base-Base interactions energy: 0.016 where: short stacking energy: 0.016 Base-Backbone interact. energy: -0.000 local terms energy: -19.296553 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.973 flat angles P-C4'-P energy: -2.806 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: 10, replica: 2 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -18.641034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.641034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.641034 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.358 local terms energy: -18.283207 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.496 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: 0.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -21.384167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.384167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.384167 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.384058 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.033 flat angles P-C4'-P energy: -2.771 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: 2, replica: 9 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -21.540785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.540785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.540785 (E_RNA) where: Base-Base interactions energy: 0.051 where: short stacking energy: 0.051 Base-Backbone interact. energy: -0.033 local terms energy: -21.558473 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -4.411 flat angles C4'-P-C4' energy: -5.011 flat angles P-C4'-P energy: -4.276 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: 3, replica: 8 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -21.906234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.906234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.906234 (E_RNA) where: Base-Base interactions energy: -5.217 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.206 local terms energy: -16.483625 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.154 flat angles P-C4'-P energy: -1.422 tors. eta vs tors. theta energy: 0.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -21.113600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.113600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.113600 (E_RNA) where: Base-Base interactions energy: -2.382 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.736 local terms energy: -17.995359 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -3.274 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: 5, replica: 6 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -20.836834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.836834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.836834 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -20.824986 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -4.598 tors. eta vs tors. theta energy: 0.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -19.978118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.978118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.978118 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.978118 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.785 flat angles P-C4'-P energy: -3.309 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: 7, replica: 3 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -21.253318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.253318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.253318 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.564 local terms energy: -20.689796 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.938 flat angles P-C4'-P energy: -3.643 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: 5 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -18.224945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.224945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.224945 (E_RNA) where: Base-Base interactions energy: 0.543 where: short stacking energy: 0.543 Base-Backbone interact. energy: -0.089 local terms energy: -18.679091 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.189 flat angles P-C4'-P energy: -2.112 tors. eta vs tors. theta energy: -0.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -19.040554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.040554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.040554 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -18.941151 where: bonds (distance) C4'-P energy: -2.807 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -4.627 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: 10, replica: 2 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -19.103406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.103406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.103406 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.159 local terms energy: -18.944124 where: bonds (distance) C4'-P energy: -3.818 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.644 flat angles P-C4'-P energy: -4.221 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: 1, replica: 10 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -21.070384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.070384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.070384 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.083 local terms energy: -20.987236 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -3.465 flat angles P-C4'-P energy: -4.705 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: 9 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -23.988790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.988790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.988790 (E_RNA) where: Base-Base interactions energy: -5.387 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.036 local terms energy: -17.565851 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -2.539 flat angles P-C4'-P energy: -3.242 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: 3, replica: 1 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -20.934218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.934218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.934218 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.078 local terms energy: -20.856287 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.346 flat angles P-C4'-P energy: -2.686 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: 8 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -19.742625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.742625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.742625 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.742011 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -4.704 flat angles P-C4'-P energy: -4.495 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: 5, replica: 7 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -22.646292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.646292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.646292 (E_RNA) where: Base-Base interactions energy: -0.825 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -21.721277 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -3.352 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: 6, replica: 6 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -19.537238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.537238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.537238 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.102 local terms energy: -19.434856 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -3.959 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -4.893 tors. eta vs tors. theta energy: 0.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -18.490353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.490353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.490353 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -18.463147 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -3.750 tors. eta vs tors. theta energy: 1.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -19.317102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.317102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.317102 (E_RNA) where: Base-Base interactions energy: -0.816 where: short stacking energy: 0.979 Base-Backbone interact. energy: -0.007 local terms energy: -18.494089 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -3.449 flat angles P-C4'-P energy: -3.786 tors. eta vs tors. theta energy: -0.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -18.476886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.476886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.476886 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.475678 where: bonds (distance) C4'-P energy: -4.537 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -4.657 flat angles P-C4'-P energy: -3.097 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: 10, replica: 4 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -18.653514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.653514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.653514 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.653513 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -3.391 flat angles P-C4'-P energy: -4.265 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: 1, replica: 10 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -24.676825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.676825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.676825 (E_RNA) where: Base-Base interactions energy: -4.004 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.670758 where: bonds (distance) C4'-P energy: -3.756 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.131 flat angles P-C4'-P energy: -3.777 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: 2, replica: 1 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -22.771360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.771360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.771360 (E_RNA) where: Base-Base interactions energy: -4.802 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.217 local terms energy: -17.752811 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.195 flat angles P-C4'-P energy: -3.880 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: 3, replica: 9 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -21.586803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.586803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.586803 (E_RNA) where: Base-Base interactions energy: -4.596 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.132 local terms energy: -16.858893 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.502 flat angles P-C4'-P energy: -3.360 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: 4, replica: 7 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -22.158940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.158940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.158940 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -22.058767 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -3.073 tors. eta vs tors. theta energy: -3.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -22.922809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.922809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.922809 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.922762 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -3.771 tors. eta vs tors. theta energy: -4.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -20.270151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.270151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.270151 (E_RNA) where: Base-Base interactions energy: -1.257 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.033 local terms energy: -18.979940 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.306 flat angles P-C4'-P energy: -3.945 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: 6 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -20.601214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.601214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.601214 (E_RNA) where: Base-Base interactions energy: -5.680 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.037 local terms energy: -14.884305 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -5.010 flat angles P-C4'-P energy: -3.551 tors. eta vs tors. theta energy: 3.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -20.036655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.036655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.036655 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.024 local terms energy: -20.012472 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.990 flat angles P-C4'-P energy: -3.488 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: 9, replica: 3 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -20.293136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.293136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.293136 (E_RNA) where: Base-Base interactions energy: -1.787 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -18.492500 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -4.263 tors. eta vs tors. theta energy: 0.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -18.956419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.956419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.956419 (E_RNA) where: Base-Base interactions energy: -1.282 where: short stacking energy: 0.381 Base-Backbone interact. energy: -0.035 local terms energy: -17.639573 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -3.392 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: 240 Temperature: 0.900000 Total energy: -22.670951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.670951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.670951 (E_RNA) where: Base-Base interactions energy: -5.692 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.108 local terms energy: -16.870779 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.973 flat angles P-C4'-P energy: -1.798 tors. eta vs tors. theta energy: 0.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -23.067713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.067713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.067713 (E_RNA) where: Base-Base interactions energy: -3.858 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -19.187804 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -3.545 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: 3, replica: 7 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -20.543198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.543198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.543198 (E_RNA) where: Base-Base interactions energy: -0.368 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.174885 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.496 flat angles P-C4'-P energy: -4.160 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: 4, replica: 9 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -19.504747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.504747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.504747 (E_RNA) where: Base-Base interactions energy: 0.223 where: short stacking energy: 0.223 Base-Backbone interact. energy: -0.001 local terms energy: -19.727053 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.039 flat angles P-C4'-P energy: -4.154 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: 5, replica: 5 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -20.713647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.713647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.713647 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.189 local terms energy: -20.525112 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.556 flat angles P-C4'-P energy: -4.714 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: 8 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -21.930429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.930429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.930429 (E_RNA) where: Base-Base interactions energy: -2.643 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -19.281649 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -5.009 flat angles P-C4'-P energy: -4.335 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: 7, replica: 2 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -19.995996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.995996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.995996 (E_RNA) where: Base-Base interactions energy: 0.550 where: short stacking energy: 0.550 Base-Backbone interact. energy: -0.004 local terms energy: -20.542449 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.404 flat angles P-C4'-P energy: -3.476 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: 8, replica: 6 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -19.953541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.953541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.953541 (E_RNA) where: Base-Base interactions energy: -5.045 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.047 local terms energy: -14.860988 where: bonds (distance) C4'-P energy: -3.934 bonds (distance) P-C4' energy: -2.454 flat angles C4'-P-C4' energy: -4.470 flat angles P-C4'-P energy: -3.376 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: 3 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -19.284469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.284469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.284469 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.281035 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -2.686 tors. eta vs tors. theta energy: -0.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -19.986588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.986588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.986588 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.985128 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -4.210 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: 1, replica: 1 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -21.231903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.231903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.231903 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.231872 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.914 flat angles P-C4'-P energy: -3.923 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: 2, replica: 7 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -21.471752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.471752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.471752 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.072 local terms energy: -21.400004 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.235 flat angles P-C4'-P energy: -4.682 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: 10 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -21.668925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.668925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.668925 (E_RNA) where: Base-Base interactions energy: -2.397 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.102 local terms energy: -19.169037 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.191 flat angles P-C4'-P energy: -3.547 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: 4, replica: 5 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -23.997729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.997729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.997729 (E_RNA) where: Base-Base interactions energy: -2.257 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.075 local terms energy: -21.665609 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -5.838 flat angles P-C4'-P energy: -4.158 tors. eta vs tors. theta energy: -1.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -21.458371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.458371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.458371 (E_RNA) where: Base-Base interactions energy: -0.189 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.133 local terms energy: -21.136737 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -3.736 tors. eta vs tors. theta energy: -0.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -19.683634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.683634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.683634 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.683309 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -4.108 flat angles P-C4'-P energy: -3.670 tors. eta vs tors. theta energy: -1.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -20.360846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.360846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.360846 (E_RNA) where: Base-Base interactions energy: -4.534 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.105 local terms energy: -15.722307 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.146 flat angles P-C4'-P energy: -1.905 tors. eta vs tors. theta energy: 1.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -21.562575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.562575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.562575 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.103 local terms energy: -21.459706 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.500 flat angles P-C4'-P energy: -4.292 tors. eta vs tors. theta energy: -2.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -18.661271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.661271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.661271 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.990 local terms energy: -17.671546 where: bonds (distance) C4'-P energy: -4.439 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.828 flat angles P-C4'-P energy: -3.674 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: 10, replica: 4 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -18.032079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.032079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.032079 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.032042 where: bonds (distance) C4'-P energy: -2.406 bonds (distance) P-C4' energy: -2.666 flat angles C4'-P-C4' energy: -4.765 flat angles P-C4'-P energy: -4.270 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: 1, replica: 7 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -20.560670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.560670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.560670 (E_RNA) where: Base-Base interactions energy: -1.507 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.239 local terms energy: -18.814766 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.306 flat angles P-C4'-P energy: -3.163 tors. eta vs tors. theta energy: 1.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -23.492525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.492525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.492525 (E_RNA) where: Base-Base interactions energy: -3.063 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.192 local terms energy: -20.237642 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.490 flat angles P-C4'-P energy: -2.012 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: 242 Temperature: 1.000000 Total energy: -22.624228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.624228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.624228 (E_RNA) where: Base-Base interactions energy: -4.640 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -17.892212 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.236 flat angles P-C4'-P energy: -3.820 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: 4, replica: 10 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -21.624981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.624981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.624981 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.624971 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -4.569 tors. eta vs tors. theta energy: -1.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -20.960756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.960756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.960756 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.960163 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -4.277 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: 242 Temperature: 1.150000 Total energy: -19.241564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.241564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.241564 (E_RNA) where: Base-Base interactions energy: 0.208 where: short stacking energy: 0.208 Base-Backbone interact. energy: -0.000 local terms energy: -19.449301 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.221 flat angles P-C4'-P energy: -2.699 tors. eta vs tors. theta energy: -1.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -20.547705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.547705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.547705 (E_RNA) where: Base-Base interactions energy: -3.415 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.623 local terms energy: -16.509733 where: bonds (distance) C4'-P energy: -4.431 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.194 flat angles P-C4'-P energy: -3.656 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: 8, replica: 8 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -19.749321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.749321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.749321 (E_RNA) where: Base-Base interactions energy: -1.869 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.106 local terms energy: -17.774524 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.408 flat angles P-C4'-P energy: -3.648 tors. eta vs tors. theta energy: 1.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -20.051113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.051113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.051113 (E_RNA) where: Base-Base interactions energy: -1.719 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.332317 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.297 flat angles P-C4'-P energy: -3.076 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: 10, replica: 6 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -18.774583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.774583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.774583 (E_RNA) where: Base-Base interactions energy: -0.976 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -17.797881 where: bonds (distance) C4'-P energy: -3.756 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.885 flat angles P-C4'-P energy: -2.808 tors. eta vs tors. theta energy: -1.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -21.744404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.744404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.744404 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.898 local terms energy: -20.845982 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.800 flat angles P-C4'-P energy: -4.033 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: 2, replica: 5 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -21.577055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.577055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.577055 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.577052 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.098 flat angles P-C4'-P energy: -3.405 tors. eta vs tors. theta energy: -4.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -21.228255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.228255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.228255 (E_RNA) where: Base-Base interactions energy: -2.018 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.044 local terms energy: -19.165734 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.727 flat angles P-C4'-P energy: -3.138 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: 2 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -21.549862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.549862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.549862 (E_RNA) where: Base-Base interactions energy: -1.777 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.771716 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -3.458 tors. eta vs tors. theta energy: -0.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -22.914907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.914907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.914907 (E_RNA) where: Base-Base interactions energy: -2.974 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.755 local terms energy: -19.185187 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.022 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -3.118 tors. eta vs tors. theta energy: -2.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -18.644265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.644265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.644265 (E_RNA) where: Base-Base interactions energy: 0.474 where: short stacking energy: 0.474 Base-Backbone interact. energy: -0.001 local terms energy: -19.117737 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.945 flat angles C4'-P-C4' energy: -4.155 flat angles P-C4'-P energy: -3.699 tors. eta vs tors. theta energy: -1.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -19.475389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.475389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.475389 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.474674 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -3.975 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: 243 Temperature: 1.250000 Total energy: -21.459909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.459909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.459909 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.459908 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.075 flat angles P-C4'-P energy: -4.021 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: 9, replica: 8 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -18.026681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.026681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.026681 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.426 local terms energy: -18.452666 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.338 flat angles P-C4'-P energy: -2.947 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: 6 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -18.749294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.749294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.749294 (E_RNA) where: Base-Base interactions energy: 0.696 where: short stacking energy: 0.696 Base-Backbone interact. energy: -0.000 local terms energy: -19.445506 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.281 flat angles P-C4'-P energy: -4.778 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: 1, replica: 5 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -21.310392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.310392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.310392 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.310054 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.971 flat angles P-C4'-P energy: -4.312 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: 2, replica: 7 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -23.960762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.960762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.960762 (E_RNA) where: Base-Base interactions energy: -4.311 where: short stacking energy: 0.899 Base-Backbone interact. energy: -0.046 local terms energy: -19.604626 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.425 flat angles P-C4'-P energy: -3.472 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: 2 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -22.652106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.652106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.652106 (E_RNA) where: Base-Base interactions energy: -4.762 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -17.806658 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.748 flat angles P-C4'-P energy: -3.869 tors. eta vs tors. theta energy: 2.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -20.854193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.854193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.854193 (E_RNA) where: Base-Base interactions energy: -3.647 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.083 local terms energy: -17.124400 where: bonds (distance) C4'-P energy: -3.544 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.908 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: 1.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -20.608080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.608080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.608080 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -20.601438 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.453 flat angles P-C4'-P energy: -4.419 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: 6, replica: 10 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -19.398259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.398259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.398259 (E_RNA) where: Base-Base interactions energy: -1.759 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.119 local terms energy: -17.519623 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.635 flat angles P-C4'-P energy: -3.657 tors. eta vs tors. theta energy: 1.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -20.912574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.912574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.912574 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.912534 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.711 flat angles P-C4'-P energy: -3.093 tors. eta vs tors. theta energy: -3.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -22.723427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.723427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.723427 (E_RNA) where: Base-Base interactions energy: -5.725 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.044 local terms energy: -16.954483 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -3.510 flat angles C4'-P-C4' energy: -4.134 flat angles P-C4'-P energy: -1.469 tors. eta vs tors. theta energy: -3.710 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: 6 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -19.788131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.788131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.788131 (E_RNA) where: Base-Base interactions energy: -3.333 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.133 local terms energy: -16.322425 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -3.705 tors. eta vs tors. theta energy: 2.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -19.498156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.498156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.498156 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.498100 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -4.285 flat angles P-C4'-P energy: -2.887 tors. eta vs tors. theta energy: -3.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -22.686134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.686134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.686134 (E_RNA) where: Base-Base interactions energy: -1.132 where: short stacking energy: 0.072 Base-Backbone interact. energy: -0.000 local terms energy: -21.553852 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -4.128 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: 2, replica: 2 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -20.884759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.884759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.884759 (E_RNA) where: Base-Base interactions energy: -0.241 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.161 local terms energy: -20.483236 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -3.657 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: 3, replica: 7 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -21.641798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.641798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.641798 (E_RNA) where: Base-Base interactions energy: -0.840 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.431 local terms energy: -21.232429 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -4.300 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: 4, replica: 3 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -20.131852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.131852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.131852 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.131851 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -4.188 tors. eta vs tors. theta energy: 0.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -20.735573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.735573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.735573 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.735551 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.377 flat angles P-C4'-P energy: -2.922 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: 10 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -20.181201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.181201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.181201 (E_RNA) where: Base-Base interactions energy: -1.770 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.161 local terms energy: -18.249968 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.059 flat angles P-C4'-P energy: -4.254 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: 4 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -20.374093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.374093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.374093 (E_RNA) where: Base-Base interactions energy: -3.890 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.025 local terms energy: -16.458719 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.373 flat angles P-C4'-P energy: -3.036 tors. eta vs tors. theta energy: -0.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -19.311612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.311612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.311612 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.311611 where: bonds (distance) C4'-P energy: -3.995 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.974 flat angles P-C4'-P energy: -2.710 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: 9, replica: 9 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -19.551358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.551358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.551358 (E_RNA) where: Base-Base interactions energy: 0.179 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.151 local terms energy: -19.579542 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.415 flat angles P-C4'-P energy: -4.422 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: 10, replica: 8 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -21.282306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.282306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.282306 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.282296 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.346 flat angles P-C4'-P energy: -4.279 tors. eta vs tors. theta energy: -1.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -21.367775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.367775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.367775 (E_RNA) where: Base-Base interactions energy: -1.505 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.291 local terms energy: -19.571347 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.016 flat angles P-C4'-P energy: -3.855 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: 2, replica: 5 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -23.365482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.365482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.365482 (E_RNA) where: Base-Base interactions energy: -2.712 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -20.646789 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.813 flat angles P-C4'-P energy: -4.336 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: 3, replica: 7 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -22.808720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.808720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.808720 (E_RNA) where: Base-Base interactions energy: -4.498 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.003 local terms energy: -18.307785 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -3.091 tors. eta vs tors. theta energy: -0.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -19.359382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.359382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.359382 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.001 local terms energy: -19.558535 where: bonds (distance) C4'-P energy: -4.281 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.267 flat angles P-C4'-P energy: -4.590 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: 5, replica: 1 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -19.650625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.650625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.650625 (E_RNA) where: Base-Base interactions energy: -1.719 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.587 local terms energy: -18.518719 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -2.719 flat angles P-C4'-P energy: -3.636 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: 6, replica: 10 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -19.037636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.037636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.037636 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -19.021375 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.096 flat angles P-C4'-P energy: -3.844 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: 7, replica: 4 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -19.931898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.931898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.931898 (E_RNA) where: Base-Base interactions energy: -1.541 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.390291 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.258 flat angles P-C4'-P energy: -4.285 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: 8, replica: 6 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -18.830889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.830889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.830889 (E_RNA) where: Base-Base interactions energy: -0.004 where: short stacking energy: 0.313 Base-Backbone interact. energy: -0.000 local terms energy: -18.826413 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -3.388 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: 9 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -18.217662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.217662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.217662 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.217612 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -2.035 flat angles P-C4'-P energy: -4.850 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: 10, replica: 8 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -18.103681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.103681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.103681 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -18.003808 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.626 flat angles P-C4'-P energy: -3.870 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: 1, replica: 2 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -20.833973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.833973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.833973 (E_RNA) where: Base-Base interactions energy: -1.822 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.012136 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -2.544 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: 7 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -21.891719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.891719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.891719 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -21.885923 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.358 flat angles P-C4'-P energy: -3.922 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: 5 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -20.807639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.807639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.807639 (E_RNA) where: Base-Base interactions energy: -3.611 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.034 local terms energy: -17.161958 where: bonds (distance) C4'-P energy: -3.598 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -2.402 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: 1 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -22.460176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.460176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.460176 (E_RNA) where: Base-Base interactions energy: -4.942 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.089 local terms energy: -17.428625 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.763 flat angles P-C4'-P energy: -3.684 tors. eta vs tors. theta energy: 2.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -22.032381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.032381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.032381 (E_RNA) where: Base-Base interactions energy: -0.293 where: short stacking energy: 0.923 Base-Backbone interact. energy: -0.000 local terms energy: -21.738854 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.993 flat angles P-C4'-P energy: -4.106 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: 6, replica: 4 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -21.046497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.046497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.046497 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -21.043232 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.765 flat angles P-C4'-P energy: -3.576 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: 7, replica: 10 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -20.671202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.671202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.671202 (E_RNA) where: Base-Base interactions energy: -1.708 where: short stacking energy: 0.304 Base-Backbone interact. energy: -0.000 local terms energy: -18.963497 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -4.430 flat angles P-C4'-P energy: -2.798 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: 8, replica: 9 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -19.268246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.268246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.268246 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.242 local terms energy: -19.510016 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.763 flat angles P-C4'-P energy: -4.638 tors. eta vs tors. theta energy: 0.455 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: 9, replica: 6 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -19.710850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.710850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.710850 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.710839 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -4.708 flat angles P-C4'-P energy: -3.641 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: 10, replica: 8 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -19.684971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.684971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.684971 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.807 local terms energy: -18.877829 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.173 flat angles C4'-P-C4' energy: -4.674 flat angles P-C4'-P energy: -3.523 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: 7 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -22.831610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.831610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.831610 (E_RNA) where: Base-Base interactions energy: -2.439 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -20.377975 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.520 flat angles P-C4'-P energy: -3.547 tors. eta vs tors. theta energy: -1.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -23.235249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.235249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.235249 (E_RNA) where: Base-Base interactions energy: -9.423 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -13.799704 where: bonds (distance) C4'-P energy: -2.282 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.987 flat angles P-C4'-P energy: -1.420 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: 3, replica: 1 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -21.055778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.055778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.055778 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.111 local terms energy: -20.945042 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.574 flat angles P-C4'-P energy: -3.496 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: 4, replica: 5 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -20.726570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.726570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.726570 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.000 local terms energy: -21.126364 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.897 flat angles P-C4'-P energy: -4.471 tors. eta vs tors. theta energy: -2.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -20.565515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.565515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.565515 (E_RNA) where: Base-Base interactions energy: -5.182 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.399 local terms energy: -14.984800 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -3.053 flat angles C4'-P-C4' energy: -3.613 flat angles P-C4'-P energy: -4.610 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: 6, replica: 3 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -19.767458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.767458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.767458 (E_RNA) where: Base-Base interactions energy: -5.967 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.122 local terms energy: -13.677933 where: bonds (distance) C4'-P energy: -2.770 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -1.490 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: 7, replica: 9 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -19.583287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.583287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.583287 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.583204 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.680 flat angles P-C4'-P energy: -2.148 tors. eta vs tors. theta energy: -1.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -19.001866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.001866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.001866 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.053 local terms energy: -18.948753 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.008 flat angles P-C4'-P energy: -3.670 tors. eta vs tors. theta energy: -1.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -22.286561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.286561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.286561 (E_RNA) where: Base-Base interactions energy: -3.135 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.510 local terms energy: -18.641904 where: bonds (distance) C4'-P energy: -3.714 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -4.942 flat angles P-C4'-P energy: -3.010 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: 6 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -18.899063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.899063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.899063 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.899063 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -4.455 flat angles C4'-P-C4' energy: -5.018 flat angles P-C4'-P energy: -4.316 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: 1, replica: 7 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -24.653227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.653227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.653227 (E_RNA) where: Base-Base interactions energy: -4.185 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -20.376257 where: bonds (distance) C4'-P energy: -4.538 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.190 flat angles P-C4'-P energy: -4.579 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: 2, replica: 1 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -20.895885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.895885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.895885 (E_RNA) where: Base-Base interactions energy: -0.188 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -20.614446 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: -4.433 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: 3, replica: 2 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -22.292267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.292267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.292267 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -22.290027 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -4.608 tors. eta vs tors. theta energy: -1.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -21.101776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.101776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.101776 (E_RNA) where: Base-Base interactions energy: -5.506 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -15.505142 where: bonds (distance) C4'-P energy: -3.540 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.494 flat angles P-C4'-P energy: -3.756 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: 5, replica: 5 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -21.024913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.024913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.024913 (E_RNA) where: Base-Base interactions energy: -5.117 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.379 local terms energy: -15.528947 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.157 flat angles P-C4'-P energy: -2.985 tors. eta vs tors. theta energy: 1.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -20.507339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.507339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.507339 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.501117 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -4.479 flat angles C4'-P-C4' energy: -3.977 flat angles P-C4'-P energy: -4.525 tors. eta vs tors. theta energy: -2.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -18.191065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.191065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.191065 (E_RNA) where: Base-Base interactions energy: -0.635 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.471 local terms energy: -18.026298 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -2.608 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: 8, replica: 8 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -19.635065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.635065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.635065 (E_RNA) where: Base-Base interactions energy: 1.211 where: short stacking energy: 1.211 Base-Backbone interact. energy: -0.004 local terms energy: -20.842144 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -4.228 tors. eta vs tors. theta energy: -1.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -21.043510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.043510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.043510 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.114 local terms energy: -21.029540 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -3.679 tors. eta vs tors. theta energy: -0.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -18.920309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.920309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.920309 (E_RNA) where: Base-Base interactions energy: 1.906 where: short stacking energy: 1.906 Base-Backbone interact. energy: -0.000 local terms energy: -20.826085 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.412 flat angles P-C4'-P energy: -4.255 tors. eta vs tors. theta energy: -1.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -21.624496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.624496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.624496 (E_RNA) where: Base-Base interactions energy: 0.052 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.052 local terms energy: -21.623697 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.781 flat angles P-C4'-P energy: -3.977 tors. eta vs tors. theta energy: -1.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -20.762345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.762345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.762345 (E_RNA) where: Base-Base interactions energy: -2.553 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -18.115709 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.352 flat angles P-C4'-P energy: -2.400 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: 3, replica: 4 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -21.825122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.825122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.825122 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.825071 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -4.542 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: 4, replica: 2 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -19.301376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.301376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.301376 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.301335 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.111 flat angles P-C4'-P energy: -3.142 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: 9 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -20.496971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.496971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.496971 (E_RNA) where: Base-Base interactions energy: -0.648 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -19.748559 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.402 flat angles P-C4'-P energy: -4.257 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: 6, replica: 5 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -20.111361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.111361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.111361 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.111352 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.073 flat angles P-C4'-P energy: -4.598 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: 7, replica: 8 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -20.267304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.267304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.267304 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -20.251664 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: -0.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -19.547284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.547284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.547284 (E_RNA) where: Base-Base interactions energy: -5.425 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -14.099987 where: bonds (distance) C4'-P energy: -3.349 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.230 flat angles P-C4'-P energy: -3.284 tors. eta vs tors. theta energy: 3.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -18.380287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.380287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.380287 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.080 local terms energy: -18.299975 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -1.472 tors. eta vs tors. theta energy: -0.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -19.399802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.399802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.399802 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.399802 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.836 flat angles P-C4'-P energy: -2.675 tors. eta vs tors. theta energy: -0.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -22.057706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.057706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.057706 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.058 local terms energy: -22.000176 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.105 flat angles P-C4'-P energy: -4.014 tors. eta vs tors. theta energy: -1.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -22.142998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.142998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.142998 (E_RNA) where: Base-Base interactions energy: -5.623 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.068 local terms energy: -16.452786 where: bonds (distance) C4'-P energy: -3.900 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.071 flat angles P-C4'-P energy: -3.154 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: 3, replica: 7 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -22.378855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.378855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.378855 (E_RNA) where: Base-Base interactions energy: -3.963 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.019 local terms energy: -18.397240 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.359 flat angles P-C4'-P energy: -3.918 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: 4, replica: 2 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -22.730146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.730146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.730146 (E_RNA) where: Base-Base interactions energy: -0.283 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.982 local terms energy: -21.465246 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -3.826 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: 5, replica: 9 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -20.340640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.340640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.340640 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.177 local terms energy: -20.163798 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.988 flat angles P-C4'-P energy: -2.790 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: 8 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -20.191169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.191169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.191169 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.038 local terms energy: -20.153486 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -2.387 flat angles P-C4'-P energy: -3.790 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: 7, replica: 5 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -20.940761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.940761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.940761 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -20.928687 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.539 flat angles P-C4'-P energy: -4.331 tors. eta vs tors. theta energy: -0.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -19.289998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.289998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.289998 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.285828 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.862 flat angles P-C4'-P energy: -2.444 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: 9, replica: 3 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -20.497180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.497180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.497180 (E_RNA) where: Base-Base interactions energy: -4.169 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -16.317321 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -2.269 tors. eta vs tors. theta energy: 1.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -20.015803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.015803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.015803 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.015520 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -3.356 tors. eta vs tors. theta energy: -1.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -20.431291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.431291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.431291 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.086 local terms energy: -20.345016 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -3.355 tors. eta vs tors. theta energy: -3.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -21.647283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.647283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.647283 (E_RNA) where: Base-Base interactions energy: -3.097 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.101 local terms energy: -18.450053 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -3.790 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: 3, replica: 2 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -21.054127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.054127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.054127 (E_RNA) where: Base-Base interactions energy: -5.028 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.181 local terms energy: -15.844591 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.945 flat angles P-C4'-P energy: -2.104 tors. eta vs tors. theta energy: 2.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -21.637928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.637928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.637928 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.635633 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.299 flat angles P-C4'-P energy: -3.853 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: 252 Temperature: 1.100000 Total energy: -19.542997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.542997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.542997 (E_RNA) where: Base-Base interactions energy: -5.090 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.964 local terms energy: -13.488927 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -2.071 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: 6, replica: 9 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -22.179914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.179914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.179914 (E_RNA) where: Base-Base interactions energy: -0.047 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.179 local terms energy: -21.954392 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.970 flat angles P-C4'-P energy: -4.307 tors. eta vs tors. theta energy: -1.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -19.789393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.789393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.789393 (E_RNA) where: Base-Base interactions energy: -0.337 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.188 local terms energy: -19.263988 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -3.512 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: 8, replica: 10 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -19.261713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.261713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.261713 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -19.249903 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.817 flat angles P-C4'-P energy: -3.331 tors. eta vs tors. theta energy: -0.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -17.889340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.889340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.889340 (E_RNA) where: Base-Base interactions energy: -2.190 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.154 local terms energy: -15.544712 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.308 flat angles P-C4'-P energy: -4.713 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: 10, replica: 3 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -18.520752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.520752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.520752 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -18.507599 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.356 flat angles P-C4'-P energy: -4.457 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: 1, replica: 4 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -21.784127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.784127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.784127 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -21.770394 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.112 flat angles P-C4'-P energy: -4.011 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: 2 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -21.885046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.885046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.885046 (E_RNA) where: Base-Base interactions energy: -1.325 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.559073 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.159 flat angles P-C4'-P energy: -4.883 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: 3, replica: 1 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -19.828427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.828427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.828427 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.054 local terms energy: -19.774121 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -4.561 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: 4, replica: 8 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -20.150741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.150741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.150741 (E_RNA) where: Base-Base interactions energy: 0.101 where: short stacking energy: 0.101 Base-Backbone interact. energy: -0.863 local terms energy: -19.388816 where: bonds (distance) C4'-P energy: -5.097 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.690 flat angles P-C4'-P energy: -4.373 tors. eta vs tors. theta energy: 1.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -21.176370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.176370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.176370 (E_RNA) where: Base-Base interactions energy: -3.054 where: short stacking energy: 0.475 Base-Backbone interact. energy: -0.100 local terms energy: -18.022745 where: bonds (distance) C4'-P energy: -2.799 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.681 flat angles P-C4'-P energy: -4.426 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: 6, replica: 5 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -20.333561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.333561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.333561 (E_RNA) where: Base-Base interactions energy: -1.436 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -18.895110 where: bonds (distance) C4'-P energy: -3.917 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.803 flat angles P-C4'-P energy: -3.916 tors. eta vs tors. theta energy: -0.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -21.288078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.288078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.288078 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.288070 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.598 flat angles P-C4'-P energy: -3.421 tors. eta vs tors. theta energy: -1.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -21.291756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.291756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.291756 (E_RNA) where: Base-Base interactions energy: 0.360 where: short stacking energy: 0.360 Base-Backbone interact. energy: -0.307 local terms energy: -21.344812 where: bonds (distance) C4'-P energy: -4.095 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.336 flat angles P-C4'-P energy: -3.911 tors. eta vs tors. theta energy: -1.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -19.673461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.673461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.673461 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -19.666117 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -3.163 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: 10, replica: 3 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -20.892351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.892351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.892351 (E_RNA) where: Base-Base interactions energy: -1.681 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.211772 where: bonds (distance) C4'-P energy: -4.178 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -3.104 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: 1, replica: 2 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -21.964577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.964577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.964577 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.964561 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.359 flat angles P-C4'-P energy: -4.042 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: 2, replica: 4 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -20.120057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.120057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.120057 (E_RNA) where: Base-Base interactions energy: -2.863 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.413 local terms energy: -16.844269 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.377 flat angles P-C4'-P energy: -2.065 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: 3, replica: 8 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -22.277251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.277251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.277251 (E_RNA) where: Base-Base interactions energy: -5.627 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.136 local terms energy: -16.514597 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -3.245 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: 4, replica: 1 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -22.212906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.212906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.212906 (E_RNA) where: Base-Base interactions energy: 0.515 where: short stacking energy: 0.515 Base-Backbone interact. energy: 0.585 local terms energy: -23.312945 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.431 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -2.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -19.670411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.670411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.670411 (E_RNA) where: Base-Base interactions energy: 0.019 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.653 local terms energy: -19.036393 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.400 flat angles P-C4'-P energy: -4.240 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: 6, replica: 7 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -21.131643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.131643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.131643 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.401 local terms energy: -20.730744 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -3.949 tors. eta vs tors. theta energy: 0.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -21.384472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.384472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.384472 (E_RNA) where: Base-Base interactions energy: -3.075 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.798 local terms energy: -17.511297 where: bonds (distance) C4'-P energy: -5.283 bonds (distance) P-C4' energy: -3.572 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -4.372 tors. eta vs tors. theta energy: 0.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -19.527003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.527003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.527003 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.526971 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.349 flat angles P-C4'-P energy: -2.814 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: 9, replica: 3 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -20.972522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.972522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.972522 (E_RNA) where: Base-Base interactions energy: -2.599 where: short stacking energy: 1.521 Base-Backbone interact. energy: -0.019 local terms energy: -18.354531 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -3.512 tors. eta vs tors. theta energy: 0.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -17.749237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.749237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.749237 (E_RNA) where: Base-Base interactions energy: -0.947 where: short stacking energy: 0.320 Base-Backbone interact. energy: -0.030 local terms energy: -16.771878 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -2.549 flat angles P-C4'-P energy: -3.756 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: 1, replica: 2 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -23.844254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.844254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.844254 (E_RNA) where: Base-Base interactions energy: -4.397 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.443591 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -3.081 flat angles P-C4'-P energy: -2.859 tors. eta vs tors. theta energy: -2.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -22.948940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.948940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.948940 (E_RNA) where: Base-Base interactions energy: -2.042 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.906459 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -3.876 tors. eta vs tors. theta energy: -0.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -19.585497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.585497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.585497 (E_RNA) where: Base-Base interactions energy: -3.628 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.038 local terms energy: -15.919597 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.145 flat angles P-C4'-P energy: -3.967 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: 5 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -21.696702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.696702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.696702 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.696693 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.061 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -2.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -20.556342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.556342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.556342 (E_RNA) where: Base-Base interactions energy: 1.023 where: short stacking energy: 1.023 Base-Backbone interact. energy: -0.017 local terms energy: -21.562184 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.559 flat angles P-C4'-P energy: -2.548 tors. eta vs tors. theta energy: -4.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -20.798228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.798228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.798228 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.797922 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -2.115 flat angles P-C4'-P energy: -4.214 tors. eta vs tors. theta energy: -4.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -20.783272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.783272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.783272 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.782927 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.823 flat angles P-C4'-P energy: -3.803 tors. eta vs tors. theta energy: -1.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -20.595297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.595297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.595297 (E_RNA) where: Base-Base interactions energy: -2.852 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -17.740810 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.535 flat angles P-C4'-P energy: -3.875 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: 9, replica: 9 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -19.667600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.667600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.667600 (E_RNA) where: Base-Base interactions energy: -0.543 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.124 local terms energy: -19.000568 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -5.859 flat angles P-C4'-P energy: -3.757 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: 10, replica: 10 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -18.680300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.680300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.680300 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.679339 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -3.854 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -2.763 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: 8 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -22.291916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.291916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.291916 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.291910 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.104 flat angles P-C4'-P energy: -4.662 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: 2, replica: 2 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -21.869047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.869047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.869047 (E_RNA) where: Base-Base interactions energy: -1.652 where: short stacking energy: 0.533 Base-Backbone interact. energy: -0.000 local terms energy: -20.216492 where: bonds (distance) C4'-P energy: -3.234 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.382 flat angles P-C4'-P energy: -3.800 tors. eta vs tors. theta energy: -2.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -22.119030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.119030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.119030 (E_RNA) where: Base-Base interactions energy: -4.441 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.270 local terms energy: -17.407517 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.505 flat angles P-C4'-P energy: -4.145 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: 4, replica: 4 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -20.549002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.549002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.549002 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.546931 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.215 flat angles P-C4'-P energy: -4.531 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: 5, replica: 6 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -19.995148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.995148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.995148 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.000 local terms energy: -20.194993 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -3.895 tors. eta vs tors. theta energy: 0.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -21.680981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.680981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.680981 (E_RNA) where: Base-Base interactions energy: -4.169 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -17.498475 where: bonds (distance) C4'-P energy: -3.748 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -2.791 flat angles P-C4'-P energy: -4.167 tors. eta vs tors. theta energy: -0.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -21.267708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.267708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.267708 (E_RNA) where: Base-Base interactions energy: 0.230 where: short stacking energy: 0.230 Base-Backbone interact. energy: -0.083 local terms energy: -21.414748 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.648 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -1.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -19.371702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.371702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.371702 (E_RNA) where: Base-Base interactions energy: -0.374 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.033 local terms energy: -18.964631 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -2.285 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: 10 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -20.305137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.305137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.305137 (E_RNA) where: Base-Base interactions energy: -1.976 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.117 local terms energy: -18.212474 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.904 flat angles P-C4'-P energy: -4.674 tors. eta vs tors. theta energy: 2.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -20.198887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.198887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.198887 (E_RNA) where: Base-Base interactions energy: -5.114 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -15.064614 where: bonds (distance) C4'-P energy: -4.281 bonds (distance) P-C4' energy: -4.258 flat angles C4'-P-C4' energy: -4.414 flat angles P-C4'-P energy: -3.437 tors. eta vs tors. theta energy: 1.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -22.530152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.530152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.530152 (E_RNA) where: Base-Base interactions energy: -4.041 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.142 local terms energy: -18.346814 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.687 flat angles P-C4'-P energy: -3.656 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: 2, replica: 5 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -20.943603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.943603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.943603 (E_RNA) where: Base-Base interactions energy: 0.284 where: short stacking energy: 0.284 Base-Backbone interact. energy: -0.884 local terms energy: -20.344318 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.897 flat angles P-C4'-P energy: -3.199 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: 3, replica: 2 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -21.022299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.022299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.022299 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.000 local terms energy: -21.222007 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -4.809 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: 4, replica: 6 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -19.746690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.746690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.746690 (E_RNA) where: Base-Base interactions energy: -5.366 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.247 local terms energy: -14.133744 where: bonds (distance) C4'-P energy: -1.652 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.624 flat angles P-C4'-P energy: -4.215 tors. eta vs tors. theta energy: 2.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -21.940966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.940966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.940966 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.940957 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -4.065 tors. eta vs tors. theta energy: -2.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -20.307397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.307397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.307397 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.764 local terms energy: -19.543887 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.069 flat angles C4'-P-C4' energy: -5.613 flat angles P-C4'-P energy: -3.903 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: 7, replica: 1 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -19.566945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.566945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.566945 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.563201 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.632 flat angles P-C4'-P energy: -2.742 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: 8, replica: 10 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -19.666272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.666272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.666272 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.082 local terms energy: -19.584070 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: 0.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -21.223109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.223109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.223109 (E_RNA) where: Base-Base interactions energy: 0.305 where: short stacking energy: 0.305 Base-Backbone interact. energy: -0.098 local terms energy: -21.429854 where: bonds (distance) C4'-P energy: -5.175 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.116 flat angles P-C4'-P energy: -2.844 tors. eta vs tors. theta energy: -2.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -19.470538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.470538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.470538 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.470529 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.722 flat angles P-C4'-P energy: -3.655 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: 5 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -21.199724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.199724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.199724 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.805 local terms energy: -22.004941 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.067 flat angles P-C4'-P energy: -3.542 tors. eta vs tors. theta energy: -3.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -21.769141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.769141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.769141 (E_RNA) where: Base-Base interactions energy: -5.666 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.148 local terms energy: -15.954327 where: bonds (distance) C4'-P energy: -4.136 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -1.672 tors. eta vs tors. theta energy: -0.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -21.129808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.129808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.129808 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -21.116698 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.420 flat angles P-C4'-P energy: -4.372 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: 4, replica: 2 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -19.975181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.975181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.975181 (E_RNA) where: Base-Base interactions energy: 0.040 where: short stacking energy: 0.040 Base-Backbone interact. energy: -0.001 local terms energy: -20.013664 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.744 flat angles P-C4'-P energy: -2.416 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: 5, replica: 4 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -19.959562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.959562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.959562 (E_RNA) where: Base-Base interactions energy: -4.670 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.139 local terms energy: -15.150607 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -3.988 flat angles C4'-P-C4' energy: -3.195 flat angles P-C4'-P energy: -3.910 tors. eta vs tors. theta energy: 1.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -20.496194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.496194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.496194 (E_RNA) where: Base-Base interactions energy: -1.770 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -18.717382 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.491 flat angles P-C4'-P energy: -3.138 tors. eta vs tors. theta energy: 0.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -20.876871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.876871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.876871 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.876836 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.452 flat angles C4'-P-C4' energy: -4.739 flat angles P-C4'-P energy: -4.587 tors. eta vs tors. theta energy: -2.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -21.077676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.077676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.077676 (E_RNA) where: Base-Base interactions energy: 0.271 where: short stacking energy: 0.271 Base-Backbone interact. energy: -0.000 local terms energy: -21.348900 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -3.120 tors. eta vs tors. theta energy: -2.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -22.457356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.457356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.457356 (E_RNA) where: Base-Base interactions energy: -2.880 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -19.566465 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -4.019 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: 10, replica: 7 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -19.245312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.245312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.245312 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -19.233496 where: bonds (distance) C4'-P energy: -3.805 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.339 flat angles P-C4'-P energy: -3.584 tors. eta vs tors. theta energy: -1.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -23.694655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.694655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.694655 (E_RNA) where: Base-Base interactions energy: -5.928 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.194 local terms energy: -17.573129 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.851 flat angles P-C4'-P energy: -4.382 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: 2, replica: 6 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -21.140969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.140969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.140969 (E_RNA) where: Base-Base interactions energy: -3.923 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.038 local terms energy: -17.180237 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.785 flat angles P-C4'-P energy: -3.105 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: 3, replica: 8 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -19.912614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.912614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.912614 (E_RNA) where: Base-Base interactions energy: -0.815 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -18.998414 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.800 flat angles P-C4'-P energy: -3.987 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: 4, replica: 4 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -19.931922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.931922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.931922 (E_RNA) where: Base-Base interactions energy: -2.881 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -17.050531 where: bonds (distance) C4'-P energy: -3.607 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.317 flat angles P-C4'-P energy: -4.518 tors. eta vs tors. theta energy: 0.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -20.032559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.032559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.032559 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -19.938497 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.800 flat angles P-C4'-P energy: -3.754 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: 10 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -21.170989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.170989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.170989 (E_RNA) where: Base-Base interactions energy: -3.683 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -17.476392 where: bonds (distance) C4'-P energy: -3.545 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.538 flat angles P-C4'-P energy: -2.992 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: 7, replica: 3 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -20.750573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.750573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.750573 (E_RNA) where: Base-Base interactions energy: -2.499 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.007 local terms energy: -18.244924 where: bonds (distance) C4'-P energy: -3.731 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -3.789 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: 8, replica: 9 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -20.515290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.515290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.515290 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.146 local terms energy: -20.368945 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.091 flat angles P-C4'-P energy: -3.573 tors. eta vs tors. theta energy: -0.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -20.062760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.062760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.062760 (E_RNA) where: Base-Base interactions energy: 0.193 where: short stacking energy: 0.193 Base-Backbone interact. energy: -0.021 local terms energy: -20.234077 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.313 flat angles P-C4'-P energy: -4.222 tors. eta vs tors. theta energy: 0.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -19.109179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.109179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.109179 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.108063 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.075 flat angles C4'-P-C4' energy: -4.348 flat angles P-C4'-P energy: -1.692 tors. eta vs tors. theta energy: -2.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -22.609837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.609837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.609837 (E_RNA) where: Base-Base interactions energy: -1.366 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.243299 where: bonds (distance) C4'-P energy: -3.305 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.803 flat angles P-C4'-P energy: -4.213 tors. eta vs tors. theta energy: -3.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -22.957653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.957653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.957653 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.957653 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -3.301 tors. eta vs tors. theta energy: -3.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -23.196299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.196299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.196299 (E_RNA) where: Base-Base interactions energy: -4.931 where: short stacking energy: 0.337 Base-Backbone interact. energy: -0.080 local terms energy: -18.185182 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -4.430 flat angles C4'-P-C4' energy: -5.039 flat angles P-C4'-P energy: -2.680 tors. eta vs tors. theta energy: -1.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -22.569589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.569589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.569589 (E_RNA) where: Base-Base interactions energy: -4.224 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.086 local terms energy: -18.260375 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.183 flat angles P-C4'-P energy: -2.998 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: 5, replica: 10 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -21.555799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.555799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.555799 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.060 local terms energy: -21.496243 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -3.557 tors. eta vs tors. theta energy: -1.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -22.588275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.588275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.588275 (E_RNA) where: Base-Base interactions energy: -1.823 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -20.747056 where: bonds (distance) C4'-P energy: -3.251 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.644 flat angles P-C4'-P energy: -3.473 tors. eta vs tors. theta energy: -2.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -21.588837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.588837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.588837 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.068 local terms energy: -21.520381 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.047 flat angles C4'-P-C4' energy: -4.980 flat angles P-C4'-P energy: -4.690 tors. eta vs tors. theta energy: -1.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -19.917574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.917574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.917574 (E_RNA) where: Base-Base interactions energy: -2.935 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -16.976241 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -3.109 flat angles P-C4'-P energy: -2.495 tors. eta vs tors. theta energy: -1.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -20.674491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.674491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.674491 (E_RNA) where: Base-Base interactions energy: -1.146 where: short stacking energy: 0.792 Base-Backbone interact. energy: -0.027 local terms energy: -19.500863 where: bonds (distance) C4'-P energy: -4.538 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.037 flat angles P-C4'-P energy: -2.357 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: 10, replica: 1 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -18.265961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.265961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.265961 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -18.261592 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.157 flat angles P-C4'-P energy: -2.813 tors. eta vs tors. theta energy: 1.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -22.173194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.173194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.173194 (E_RNA) where: Base-Base interactions energy: 0.038 where: short stacking energy: 0.038 Base-Backbone interact. energy: -0.001 local terms energy: -22.210016 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.778 flat angles P-C4'-P energy: -4.769 tors. eta vs tors. theta energy: -0.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -23.701001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.701001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.701001 (E_RNA) where: Base-Base interactions energy: -4.395 where: short stacking energy: 0.004 Base-Backbone interact. energy: -0.585 local terms energy: -18.721030 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.459 flat angles P-C4'-P energy: -3.331 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: 3, replica: 4 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -21.353671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.353671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.353671 (E_RNA) where: Base-Base interactions energy: 0.143 where: short stacking energy: 0.143 Base-Backbone interact. energy: -0.100 local terms energy: -21.396626 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.970 flat angles P-C4'-P energy: -3.695 tors. eta vs tors. theta energy: -1.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -22.419006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.419006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.419006 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -22.414487 where: bonds (distance) C4'-P energy: -3.896 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.047 flat angles P-C4'-P energy: -4.047 tors. eta vs tors. theta energy: -3.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -20.503946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.503946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.503946 (E_RNA) where: Base-Base interactions energy: 0.329 where: short stacking energy: 0.329 Base-Backbone interact. energy: 0.698 local terms energy: -21.530871 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.460 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -3.874 tors. eta vs tors. theta energy: -2.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -20.230683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.230683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.230683 (E_RNA) where: Base-Base interactions energy: -2.544 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.047 local terms energy: -17.640042 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.522 flat angles C4'-P-C4' energy: -5.223 flat angles P-C4'-P energy: -2.189 tors. eta vs tors. theta energy: -0.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -19.589505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.589505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.589505 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.160 local terms energy: -19.429605 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -4.369 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: 7 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -19.552040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.552040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.552040 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.551585 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.944 flat angles P-C4'-P energy: -4.619 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: 3 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -19.221251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.221251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.221251 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -19.214713 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.096 flat angles P-C4'-P energy: -3.781 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: 1 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -18.454349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.454349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.454349 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.072 local terms energy: -18.382679 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -3.544 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: 5 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -22.354261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.354261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.354261 (E_RNA) where: Base-Base interactions energy: -5.618 where: short stacking energy: 0.054 Base-Backbone interact. energy: -0.039 local terms energy: -16.697502 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -2.176 tors. eta vs tors. theta energy: 0.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -20.725346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.725346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.725346 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -20.697729 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -3.577 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: 3, replica: 10 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -22.729743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.729743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.729743 (E_RNA) where: Base-Base interactions energy: -4.784 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -17.942615 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -4.785 flat angles P-C4'-P energy: -3.988 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: 4, replica: 4 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -21.994317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.994317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.994317 (E_RNA) where: Base-Base interactions energy: -3.706 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -18.189795 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -4.480 flat angles C4'-P-C4' energy: -5.490 flat angles P-C4'-P energy: -4.104 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: 5, replica: 9 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -21.488409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.488409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.488409 (E_RNA) where: Base-Base interactions energy: -4.397 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -17.082361 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.559 flat angles P-C4'-P energy: -3.269 tors. eta vs tors. theta energy: 1.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -21.403602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.403602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.403602 (E_RNA) where: Base-Base interactions energy: -5.837 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -15.467788 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -2.232 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: 7, replica: 7 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -19.523396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.523396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.523396 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -19.516946 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -4.920 flat angles P-C4'-P energy: -4.182 tors. eta vs tors. theta energy: -0.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -19.965106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.965106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.965106 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.959658 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.347 flat angles P-C4'-P energy: -3.457 tors. eta vs tors. theta energy: 0.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -19.698285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.698285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.698285 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.046 local terms energy: -19.652244 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.518 flat angles P-C4'-P energy: -4.379 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: 10, replica: 3 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -25.557708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.557708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.557708 (E_RNA) where: Base-Base interactions energy: -5.115 where: short stacking energy: 0.408 Base-Backbone interact. energy: -0.016 local terms energy: -20.426987 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.401 flat angles P-C4'-P energy: -4.797 tors. eta vs tors. theta energy: 1.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -21.560152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.560152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.560152 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -21.459909 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.647 flat angles P-C4'-P energy: -4.110 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: 10 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -21.821985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.821985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.821985 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -21.722642 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -3.852 tors. eta vs tors. theta energy: -1.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -22.926026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.926026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.926026 (E_RNA) where: Base-Base interactions energy: -4.732 where: short stacking energy: 0.347 Base-Backbone interact. energy: -0.001 local terms energy: -18.192824 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -4.519 flat angles C4'-P-C4' energy: -3.537 flat angles P-C4'-P energy: -4.406 tors. eta vs tors. theta energy: -1.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -21.122479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.122479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.122479 (E_RNA) where: Base-Base interactions energy: -4.610 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.152 local terms energy: -16.360329 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.052 flat angles P-C4'-P energy: -3.810 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: 5, replica: 4 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -19.563672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.563672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.563672 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.133 local terms energy: -19.430981 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.342 flat angles P-C4'-P energy: -3.526 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: 6, replica: 7 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -21.071476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.071476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.071476 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.071141 where: bonds (distance) C4'-P energy: -5.399 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.176 flat angles P-C4'-P energy: -3.604 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: 7, replica: 8 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -21.130145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.130145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.130145 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -21.117674 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -4.121 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: 8, replica: 1 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -20.148472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.148472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.148472 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.148428 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -3.717 flat angles P-C4'-P energy: -3.096 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: 9, replica: 2 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -19.506534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.506534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.506534 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.505933 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.073 flat angles P-C4'-P energy: -2.615 tors. eta vs tors. theta energy: -0.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -18.971785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.971785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.971785 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.101 local terms energy: -18.870922 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -5.224 flat angles P-C4'-P energy: -2.818 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: 1, replica: 10 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -24.045286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.045286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.045286 (E_RNA) where: Base-Base interactions energy: -8.461 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -15.486501 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.009 flat angles P-C4'-P energy: -3.486 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: 2, replica: 5 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -20.323061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.323061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.323061 (E_RNA) where: Base-Base interactions energy: -0.817 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.501726 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.094 flat angles P-C4'-P energy: -4.116 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: 3, replica: 9 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -21.811062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.811062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.811062 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.811042 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.566 flat angles P-C4'-P energy: -4.419 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: 6 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -20.716751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.716751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.716751 (E_RNA) where: Base-Base interactions energy: -4.672 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.032 local terms energy: -16.013188 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.145 flat angles P-C4'-P energy: -1.643 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: 7 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -20.451710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.451710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.451710 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.179 local terms energy: -20.272908 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -3.557 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: 6, replica: 4 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -19.775820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.775820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.775820 (E_RNA) where: Base-Base interactions energy: 0.354 where: short stacking energy: 0.354 Base-Backbone interact. energy: -0.001 local terms energy: -20.128382 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.691 flat angles P-C4'-P energy: -4.816 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: 7, replica: 1 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -18.572095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.572095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.572095 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.572074 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.358 flat angles P-C4'-P energy: -2.146 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: 8, replica: 8 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -20.410718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.410718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.410718 (E_RNA) where: Base-Base interactions energy: -9.298 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.145 local terms energy: -10.968138 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -2.296 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -2.947 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: 3 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -18.200878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.200878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.200878 (E_RNA) where: Base-Base interactions energy: -3.763 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.138 local terms energy: -14.300011 where: bonds (distance) C4'-P energy: -4.299 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -3.437 flat angles P-C4'-P energy: -4.074 tors. eta vs tors. theta energy: 3.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -19.754909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.754909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.754909 (E_RNA) where: Base-Base interactions energy: -3.933 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.149 local terms energy: -15.673216 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.286 flat angles P-C4'-P energy: -2.862 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: 1, replica: 10 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -21.717670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.717670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.717670 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.043 local terms energy: -21.675157 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.843 flat angles P-C4'-P energy: -4.600 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: 2, replica: 5 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -22.462323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.462323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.462323 (E_RNA) where: Base-Base interactions energy: 0.396 where: short stacking energy: 0.396 Base-Backbone interact. energy: -0.000 local terms energy: -22.858475 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -4.760 tors. eta vs tors. theta energy: -1.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -20.878892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.878892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.878892 (E_RNA) where: Base-Base interactions energy: -2.821 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -18.043981 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.710 flat angles P-C4'-P energy: -3.194 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: 4, replica: 6 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -20.391140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.391140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.391140 (E_RNA) where: Base-Base interactions energy: 0.191 where: short stacking energy: 0.191 Base-Backbone interact. energy: -0.091 local terms energy: -20.491427 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -3.884 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -2.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -19.779679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.779679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.779679 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.047 local terms energy: -19.732206 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.567 flat angles P-C4'-P energy: -2.975 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: 1 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -20.208503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.208503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.208503 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -20.180449 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.537 flat angles P-C4'-P energy: -4.229 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: 7, replica: 4 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -19.896665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.896665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.896665 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.071 local terms energy: -19.825993 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.453 flat angles P-C4'-P energy: -2.598 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: 3 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -18.233432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.233432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.233432 (E_RNA) where: Base-Base interactions energy: 0.105 where: short stacking energy: 0.105 Base-Backbone interact. energy: -0.076 local terms energy: -18.262583 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.960 flat angles P-C4'-P energy: -3.598 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: 9, replica: 8 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -20.344125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.344125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.344125 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.342963 where: bonds (distance) C4'-P energy: -4.537 bonds (distance) P-C4' energy: -4.679 flat angles C4'-P-C4' energy: -3.833 flat angles P-C4'-P energy: -4.504 tors. eta vs tors. theta energy: -2.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -18.364212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.364212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.364212 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -18.351035 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.877 flat angles P-C4'-P energy: -3.520 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: 266 Temperature: 0.900000 Total energy: -21.891200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.891200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.891200 (E_RNA) where: Base-Base interactions energy: 0.336 where: short stacking energy: 0.336 Base-Backbone interact. energy: -0.001 local terms energy: -22.225616 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: -2.692 tors. eta vs tors. theta energy: -2.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -22.460181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.460181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.460181 (E_RNA) where: Base-Base interactions energy: -3.403 where: short stacking energy: 0.027 Base-Backbone interact. energy: -0.042 local terms energy: -19.014388 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.187 flat angles P-C4'-P energy: -2.987 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: 3, replica: 6 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -22.360331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.360331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.360331 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.360326 where: bonds (distance) C4'-P energy: -4.989 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -5.228 flat angles P-C4'-P energy: -3.809 tors. eta vs tors. theta energy: -3.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -22.828619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.828619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.828619 (E_RNA) where: Base-Base interactions energy: -6.514 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -16.278846 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.547 flat angles C4'-P-C4' energy: -4.535 flat angles P-C4'-P energy: -3.539 tors. eta vs tors. theta energy: 1.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -20.369670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.369670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.369670 (E_RNA) where: Base-Base interactions energy: 0.283 where: short stacking energy: 0.283 Base-Backbone interact. energy: -0.000 local terms energy: -20.652479 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.528 flat angles C4'-P-C4' energy: -5.083 flat angles P-C4'-P energy: -4.380 tors. eta vs tors. theta energy: -1.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -20.122095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.122095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.122095 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.049 local terms energy: -20.073141 where: bonds (distance) C4'-P energy: -4.431 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.431 flat angles P-C4'-P energy: -4.853 tors. eta vs tors. theta energy: 0.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -20.515965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.515965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.515965 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -20.504543 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.149 flat angles P-C4'-P energy: -4.713 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: 8, replica: 4 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -19.035733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.035733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.035733 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.106 local terms energy: -18.929951 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.201 flat angles P-C4'-P energy: -2.880 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: 2 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -18.456325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.456325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.456325 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.456221 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.505 flat angles P-C4'-P energy: -4.036 tors. eta vs tors. theta energy: 1.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -20.412290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.412290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.412290 (E_RNA) where: Base-Base interactions energy: -5.477 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -14.839192 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -3.025 flat angles P-C4'-P energy: -2.195 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: 1, replica: 10 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -22.552145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.552145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.552145 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.000 local terms energy: -22.952140 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: -4.084 tors. eta vs tors. theta energy: -4.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -21.106540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.106540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.106540 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.104336 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -5.160 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -2.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -21.671999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.671999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.671999 (E_RNA) where: Base-Base interactions energy: -1.585 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.081151 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.067 flat angles P-C4'-P energy: -2.543 tors. eta vs tors. theta energy: -3.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -22.181573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.181573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.181573 (E_RNA) where: Base-Base interactions energy: -3.814 where: short stacking energy: 0.414 Base-Backbone interact. energy: -0.104 local terms energy: -18.264345 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -3.375 flat angles P-C4'-P energy: -4.591 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: 5, replica: 9 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -20.695340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.695340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.695340 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -20.604350 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.157 flat angles P-C4'-P energy: -3.283 tors. eta vs tors. theta energy: -0.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -21.406342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.406342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.406342 (E_RNA) where: Base-Base interactions energy: -4.703 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.110 local terms energy: -16.592518 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.163 flat angles P-C4'-P energy: -4.379 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: 7 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -19.547603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.547603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.547603 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.738 local terms energy: -18.809958 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -3.049 flat angles P-C4'-P energy: -4.457 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: 2 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -20.812179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.812179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.812179 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.812177 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.737 flat angles C4'-P-C4' energy: -5.374 flat angles P-C4'-P energy: -3.739 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: 9, replica: 4 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -19.842313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.842313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.842313 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -19.820886 where: bonds (distance) C4'-P energy: -3.818 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.348 flat angles P-C4'-P energy: -3.534 tors. eta vs tors. theta energy: -1.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -20.300290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.300290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.300290 (E_RNA) where: Base-Base interactions energy: -4.716 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.244 local terms energy: -15.340365 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -4.474 flat angles P-C4'-P energy: -4.043 tors. eta vs tors. theta energy: 3.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -21.104196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.104196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.104196 (E_RNA) where: Base-Base interactions energy: -1.868 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -19.228797 where: bonds (distance) C4'-P energy: -3.892 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.986 flat angles P-C4'-P energy: -2.780 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: 2, replica: 10 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -21.102416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.102416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.102416 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.102404 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.168 flat angles P-C4'-P energy: -3.846 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: 3, replica: 1 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -20.953243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.953243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.953243 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.951644 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.765 flat angles P-C4'-P energy: -4.198 tors. eta vs tors. theta energy: -1.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -20.736232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.736232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.736232 (E_RNA) where: Base-Base interactions energy: -1.513 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.111 local terms energy: -19.111715 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.561 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -0.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -19.947936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.947936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.947936 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.076 local terms energy: -19.871915 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.788 flat angles P-C4'-P energy: -4.476 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: 6, replica: 9 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -20.796796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.796796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.796796 (E_RNA) where: Base-Base interactions energy: 0.009 where: short stacking energy: 0.009 Base-Backbone interact. energy: -0.000 local terms energy: -20.805898 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -3.516 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: 7, replica: 2 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -19.219485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.219485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.219485 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -19.209007 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.146 flat angles P-C4'-P energy: -3.318 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: 8, replica: 7 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -20.448809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.448809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.448809 (E_RNA) where: Base-Base interactions energy: -5.618 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.907 local terms energy: -15.738360 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.745 flat angles P-C4'-P energy: -0.634 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: 9, replica: 8 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -19.641499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.641499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.641499 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.234 local terms energy: -19.407007 where: bonds (distance) C4'-P energy: -4.273 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -2.800 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: 10, replica: 4 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -20.252427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.252427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.252427 (E_RNA) where: Base-Base interactions energy: 0.188 where: short stacking energy: 0.188 Base-Backbone interact. energy: -0.037 local terms energy: -20.403400 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.613 flat angles P-C4'-P energy: -3.071 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: 5 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -22.512753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.512753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.512753 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.512746 where: bonds (distance) C4'-P energy: -5.283 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.700 flat angles P-C4'-P energy: -3.982 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: 2, replica: 1 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -25.826485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.826485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.826485 (E_RNA) where: Base-Base interactions energy: -3.821 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.554 local terms energy: -20.451478 where: bonds (distance) C4'-P energy: -5.399 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.021 flat angles P-C4'-P energy: -4.466 tors. eta vs tors. theta energy: -1.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -21.457234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.457234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.457234 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.034 local terms energy: -21.423443 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.332 flat angles P-C4'-P energy: -4.126 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: 3 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -21.501345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.501345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.501345 (E_RNA) where: Base-Base interactions energy: 0.266 where: short stacking energy: 0.266 Base-Backbone interact. energy: 0.031 local terms energy: -21.798674 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -4.626 flat angles P-C4'-P energy: -3.099 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: 6 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -21.465567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.465567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.465567 (E_RNA) where: Base-Base interactions energy: 0.049 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.583 local terms energy: -22.098237 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.124 flat angles P-C4'-P energy: -4.160 tors. eta vs tors. theta energy: -2.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -20.226495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.226495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.226495 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.145 local terms energy: -20.081219 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -3.092 tors. eta vs tors. theta energy: -0.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -20.462273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.462273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.462273 (E_RNA) where: Base-Base interactions energy: -2.405 where: short stacking energy: 0.274 Base-Backbone interact. energy: -0.003 local terms energy: -18.054250 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -3.762 flat angles P-C4'-P energy: -3.720 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: 8, replica: 8 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -23.341803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.341803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.341803 (E_RNA) where: Base-Base interactions energy: -4.672 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -18.572404 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.469 flat angles P-C4'-P energy: -4.403 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: 7 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -19.201017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.201017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.201017 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.895 local terms energy: -18.306335 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.381 flat angles P-C4'-P energy: -3.425 tors. eta vs tors. theta energy: 1.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -19.917827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.917827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.917827 (E_RNA) where: Base-Base interactions energy: -1.702 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.052 local terms energy: -18.163521 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -3.731 flat angles P-C4'-P energy: -2.974 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: 1, replica: 1 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -22.261700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.261700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.261700 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -22.260604 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.417 flat angles P-C4'-P energy: -2.782 tors. eta vs tors. theta energy: -3.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -22.039560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.039560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.039560 (E_RNA) where: Base-Base interactions energy: -1.432 where: short stacking energy: 0.152 Base-Backbone interact. energy: -0.165 local terms energy: -20.442728 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.381 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -3.784 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: 3, replica: 3 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -22.607496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.607496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.607496 (E_RNA) where: Base-Base interactions energy: -6.809 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.340 local terms energy: -15.458293 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.273 flat angles P-C4'-P energy: -4.129 tors. eta vs tors. theta energy: 2.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -20.941285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.941285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.941285 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.015 local terms energy: -21.325837 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.745 flat angles P-C4'-P energy: -4.668 tors. eta vs tors. theta energy: -1.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -20.569807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.569807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.569807 (E_RNA) where: Base-Base interactions energy: -1.359 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -19.203904 where: bonds (distance) C4'-P energy: -3.747 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.456 flat angles P-C4'-P energy: -3.766 tors. eta vs tors. theta energy: -0.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -20.047101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.047101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.047101 (E_RNA) where: Base-Base interactions energy: -1.286 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.761046 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.401 flat angles P-C4'-P energy: -4.138 tors. eta vs tors. theta energy: 0.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -20.390076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.390076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.390076 (E_RNA) where: Base-Base interactions energy: -0.834 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.010 local terms energy: -19.546163 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -3.493 tors. eta vs tors. theta energy: -0.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -20.693658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.693658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.693658 (E_RNA) where: Base-Base interactions energy: -1.963 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.136 local terms energy: -18.595052 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -4.075 tors. eta vs tors. theta energy: 0.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -20.970552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.970552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.970552 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.969077 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -4.094 tors. eta vs tors. theta energy: -0.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -18.876581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.876581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.876581 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -18.867303 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -4.943 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -0.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -23.866421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.866421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.866421 (E_RNA) where: Base-Base interactions energy: -3.906 where: short stacking energy: 0.248 Base-Backbone interact. energy: -0.003 local terms energy: -19.957418 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.033 flat angles P-C4'-P energy: -2.392 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: 2, replica: 3 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -24.392359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.392359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.392359 (E_RNA) where: Base-Base interactions energy: -4.403 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.045 local terms energy: -19.943823 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -3.998 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -1.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -21.963112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.963112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.963112 (E_RNA) where: Base-Base interactions energy: -4.941 where: short stacking energy: 0.155 Base-Backbone interact. energy: -0.042 local terms energy: -16.980344 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -2.889 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: 4, replica: 2 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -22.004390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.004390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.004390 (E_RNA) where: Base-Base interactions energy: -4.892 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.437 local terms energy: -16.675836 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -0.131 flat angles P-C4'-P energy: -4.026 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: 5, replica: 10 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -18.729387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.729387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.729387 (E_RNA) where: Base-Base interactions energy: -3.069 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -15.654451 where: bonds (distance) C4'-P energy: -4.253 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.723 flat angles P-C4'-P energy: -1.466 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: 8 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -21.510258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.510258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.510258 (E_RNA) where: Base-Base interactions energy: -4.582 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.108 local terms energy: -16.820731 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -2.550 flat angles P-C4'-P energy: -4.477 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: 6 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -20.987566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.987566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.987566 (E_RNA) where: Base-Base interactions energy: -1.175 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.000 local terms energy: -19.812682 where: bonds (distance) C4'-P energy: -3.615 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.203 flat angles P-C4'-P energy: -3.825 tors. eta vs tors. theta energy: -2.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -19.711820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.711820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.711820 (E_RNA) where: Base-Base interactions energy: -0.043 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.044 local terms energy: -19.624684 where: bonds (distance) C4'-P energy: -3.897 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.314 flat angles P-C4'-P energy: -3.784 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: 9, replica: 9 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -18.145000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.145000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.145000 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -18.141774 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.464 flat angles P-C4'-P energy: -3.980 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: 271 Temperature: 1.350000 Total energy: -18.396129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.396129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.396129 (E_RNA) where: Base-Base interactions energy: 0.130 where: short stacking energy: 0.130 Base-Backbone interact. energy: -0.009 local terms energy: -18.517647 where: bonds (distance) C4'-P energy: -4.687 bonds (distance) P-C4' energy: -3.793 flat angles C4'-P-C4' energy: -4.901 flat angles P-C4'-P energy: -3.196 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: 1, replica: 3 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -23.540739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.540739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.540739 (E_RNA) where: Base-Base interactions energy: -5.444 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.081 local terms energy: -18.015572 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -3.895 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: 2, replica: 1 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -22.264106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.264106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.264106 (E_RNA) where: Base-Base interactions energy: -1.103 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.872 local terms energy: -20.288691 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -4.109 flat angles P-C4'-P energy: -4.088 tors. eta vs tors. theta energy: -1.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -22.391957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.391957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.391957 (E_RNA) where: Base-Base interactions energy: 0.199 where: short stacking energy: 0.199 Base-Backbone interact. energy: -0.003 local terms energy: -22.588194 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.414 flat angles P-C4'-P energy: -3.876 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: 4, replica: 5 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -20.741961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.741961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.741961 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.215 local terms energy: -20.526835 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -4.729 flat angles P-C4'-P energy: -4.572 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: 5, replica: 10 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -20.921495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.921495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.921495 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.921494 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -2.021 tors. eta vs tors. theta energy: -2.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -22.643244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.643244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.643244 (E_RNA) where: Base-Base interactions energy: -6.128 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -16.496459 where: bonds (distance) C4'-P energy: -4.306 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.197 flat angles P-C4'-P energy: -1.728 tors. eta vs tors. theta energy: -0.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -20.221246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.221246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.221246 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.037 local terms energy: -20.184261 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.724 flat angles P-C4'-P energy: -3.485 tors. eta vs tors. theta energy: -1.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -18.719921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.719921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.719921 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.718404 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.493 flat angles P-C4'-P energy: -2.859 tors. eta vs tors. theta energy: -1.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -20.096225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.096225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.096225 (E_RNA) where: Base-Base interactions energy: -1.038 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -19.051973 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.431 flat angles P-C4'-P energy: -2.892 tors. eta vs tors. theta energy: -0.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -17.813745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.813745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.813745 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -17.801491 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.157 flat angles P-C4'-P energy: -3.578 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: 1, replica: 3 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -22.766860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.766860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.766860 (E_RNA) where: Base-Base interactions energy: -2.693 where: short stacking energy: 1.148 Base-Backbone interact. energy: -0.219 local terms energy: -19.855161 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.423 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -4.449 tors. eta vs tors. theta energy: -1.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -21.773491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.773491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.773491 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.773479 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.964 flat angles P-C4'-P energy: -4.491 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: 2 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -21.542532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.542532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.542532 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -21.539939 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.149 flat angles P-C4'-P energy: -4.476 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: 4, replica: 10 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -19.653298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.653298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.653298 (E_RNA) where: Base-Base interactions energy: -0.199 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.075 local terms energy: -19.379723 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.501 flat angles C4'-P-C4' energy: -5.145 flat angles P-C4'-P energy: -2.255 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: 5, replica: 5 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -21.030115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.030115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.030115 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -21.019462 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -4.906 flat angles P-C4'-P energy: -4.351 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: 6, replica: 4 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -19.842477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.842477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.842477 (E_RNA) where: Base-Base interactions energy: -1.392 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -18.445082 where: bonds (distance) C4'-P energy: -3.508 bonds (distance) P-C4' energy: -5.075 flat angles C4'-P-C4' energy: -5.377 flat angles P-C4'-P energy: -2.504 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: 8 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -20.684734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.684734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.684734 (E_RNA) where: Base-Base interactions energy: -4.831 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.632 local terms energy: -15.221587 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -1.192 flat angles P-C4'-P energy: -3.656 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: 8, replica: 7 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -21.297092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.297092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.297092 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.077 local terms energy: -21.220024 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -3.881 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: 9, replica: 6 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -20.541671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.541671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.541671 (E_RNA) where: Base-Base interactions energy: 0.601 where: short stacking energy: 0.601 Base-Backbone interact. energy: -0.025 local terms energy: -21.116886 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -1.713 tors. eta vs tors. theta energy: -2.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -18.716031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.716031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.716031 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.130 local terms energy: -18.585719 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.396 flat angles P-C4'-P energy: -1.999 tors. eta vs tors. theta energy: -1.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -20.900871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.900871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.900871 (E_RNA) where: Base-Base interactions energy: -0.186 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.039 local terms energy: -20.675842 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.631 flat angles P-C4'-P energy: -3.431 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: 3 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -22.574489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.574489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.574489 (E_RNA) where: Base-Base interactions energy: -2.035 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.105 local terms energy: -20.434548 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -4.827 flat angles P-C4'-P energy: -4.427 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: 3, replica: 10 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -19.870370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.870370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.870370 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.010 local terms energy: -19.880097 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.499 flat angles P-C4'-P energy: -3.784 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: 4, replica: 2 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -20.492475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.492475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.492475 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.091 local terms energy: -20.501761 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -4.549 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: 5, replica: 4 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -21.607279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.607279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.607279 (E_RNA) where: Base-Base interactions energy: 0.026 where: short stacking energy: 0.026 Base-Backbone interact. energy: -0.097 local terms energy: -21.536280 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -4.544 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -4.102 tors. eta vs tors. theta energy: -1.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -20.872440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.872440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.872440 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -20.856842 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -4.476 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: 7, replica: 7 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -20.367886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.367886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.367886 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.064 local terms energy: -20.303751 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.279 flat angles P-C4'-P energy: -4.343 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: 8, replica: 8 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -18.838420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.838420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.838420 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.188 local terms energy: -18.650467 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -2.328 flat angles P-C4'-P energy: -3.670 tors. eta vs tors. theta energy: -2.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -19.802346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.802346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.802346 (E_RNA) where: Base-Base interactions energy: -2.611 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -17.177955 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -2.881 flat angles P-C4'-P energy: -2.880 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: 10, replica: 6 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -19.845126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.845126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.845126 (E_RNA) where: Base-Base interactions energy: 0.098 where: short stacking energy: 0.098 Base-Backbone interact. energy: -0.000 local terms energy: -19.942656 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.217 flat angles P-C4'-P energy: -4.577 tors. eta vs tors. theta energy: -0.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -25.702946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.702946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.702946 (E_RNA) where: Base-Base interactions energy: -6.519 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.086 local terms energy: -19.097715 where: bonds (distance) C4'-P energy: -4.256 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.081 flat angles P-C4'-P energy: -3.618 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: 2, replica: 10 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -22.958404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.958404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.958404 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.113 local terms energy: -22.845745 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.647 flat angles P-C4'-P energy: -4.228 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: 3, replica: 3 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -23.204749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.204749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.204749 (E_RNA) where: Base-Base interactions energy: -3.775 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.184 local terms energy: -19.245948 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -4.837 flat angles P-C4'-P energy: -3.386 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: 4, replica: 4 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -19.717515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.717515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.717515 (E_RNA) where: Base-Base interactions energy: -0.186 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.529879 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.713 flat angles P-C4'-P energy: -4.238 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: 5, replica: 2 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -19.413217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.413217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.413217 (E_RNA) where: Base-Base interactions energy: -4.751 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.026 local terms energy: -14.635711 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -3.477 flat angles P-C4'-P energy: -3.980 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: 6, replica: 7 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -22.084716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.084716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.084716 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.084694 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.050 flat angles P-C4'-P energy: -4.158 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: 7, replica: 5 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -20.787523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.787523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.787523 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -20.774547 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -3.374 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: 8, replica: 9 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -20.677487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.677487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.677487 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.677485 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.623 flat angles P-C4'-P energy: -2.823 tors. eta vs tors. theta energy: -2.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -19.239973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.239973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.239973 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.239971 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -3.853 flat angles P-C4'-P energy: -3.720 tors. eta vs tors. theta energy: -1.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -21.964422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.964422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.964422 (E_RNA) where: Base-Base interactions energy: -2.261 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.082 local terms energy: -19.621613 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -3.862 tors. eta vs tors. theta energy: 0.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -22.625622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.625622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.625622 (E_RNA) where: Base-Base interactions energy: -1.797 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -20.823329 where: bonds (distance) C4'-P energy: -3.880 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -3.153 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: 2, replica: 1 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -21.362579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.362579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.362579 (E_RNA) where: Base-Base interactions energy: -1.364 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -19.899062 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.750 flat angles P-C4'-P energy: -2.972 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: 3, replica: 3 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -20.398499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.398499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.398499 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.398497 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -3.144 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -3.489 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: 4, replica: 4 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -21.258176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.258176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.258176 (E_RNA) where: Base-Base interactions energy: -4.847 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.191 local terms energy: -16.219682 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.768 flat angles P-C4'-P energy: -0.975 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: 7 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -19.623383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.623383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.623383 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.622828 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -4.017 flat angles P-C4'-P energy: -2.433 tors. eta vs tors. theta energy: -1.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -21.867689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.867689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.867689 (E_RNA) where: Base-Base interactions energy: -4.714 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -17.069876 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -3.566 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: 9 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -23.795054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.795054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.795054 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.685 local terms energy: -23.110326 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -5.539 flat angles P-C4'-P energy: -3.805 tors. eta vs tors. theta energy: -3.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -18.543214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.543214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.543214 (E_RNA) where: Base-Base interactions energy: 0.049 where: short stacking energy: 0.278 Base-Backbone interact. energy: -0.943 local terms energy: -17.648929 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.559 flat angles P-C4'-P energy: -3.173 tors. eta vs tors. theta energy: 1.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -19.679075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.679075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.679075 (E_RNA) where: Base-Base interactions energy: -1.792 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -17.880433 where: bonds (distance) C4'-P energy: -3.868 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -4.769 tors. eta vs tors. theta energy: 0.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -20.396362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.396362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.396362 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.396338 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.183 flat angles P-C4'-P energy: -3.906 tors. eta vs tors. theta energy: -0.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -22.785158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.785158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.785158 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.638 local terms energy: -22.147424 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -3.376 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: 2, replica: 3 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -22.594275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.594275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.594275 (E_RNA) where: Base-Base interactions energy: -3.927 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -18.574532 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -4.110 tors. eta vs tors. theta energy: 1.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -22.258999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.258999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.258999 (E_RNA) where: Base-Base interactions energy: -5.409 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.078 local terms energy: -16.772384 where: bonds (distance) C4'-P energy: -2.799 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.292 flat angles P-C4'-P energy: -3.234 tors. eta vs tors. theta energy: 0.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -21.417615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.417615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.417615 (E_RNA) where: Base-Base interactions energy: -2.113 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.000 local terms energy: -19.304799 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.157 flat angles P-C4'-P energy: -3.629 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: 5, replica: 4 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -21.220558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.220558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.220558 (E_RNA) where: Base-Base interactions energy: 0.577 where: short stacking energy: 0.577 Base-Backbone interact. energy: -0.000 local terms energy: -21.797823 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -4.116 tors. eta vs tors. theta energy: -2.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -19.664301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.664301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.664301 (E_RNA) where: Base-Base interactions energy: -1.080 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -18.569664 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.361 flat angles P-C4'-P energy: -3.045 tors. eta vs tors. theta energy: -0.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -20.131695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.131695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.131695 (E_RNA) where: Base-Base interactions energy: -3.710 where: short stacking energy: 1.000 Base-Backbone interact. energy: -0.001 local terms energy: -16.420255 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.227 flat angles P-C4'-P energy: -2.493 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: 6 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -19.286291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.286291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.286291 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.188 local terms energy: -19.098385 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.786 flat angles P-C4'-P energy: -3.932 tors. eta vs tors. theta energy: 0.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -18.750115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.750115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.750115 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.464 local terms energy: -18.285721 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.299 flat angles P-C4'-P energy: -3.250 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: 8 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -18.768435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.768435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.768435 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.079 local terms energy: -18.689284 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.738 flat angles P-C4'-P energy: -3.769 tors. eta vs tors. theta energy: -0.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -23.151590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.151590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.151590 (E_RNA) where: Base-Base interactions energy: -4.189 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.970 local terms energy: -17.992072 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.743 flat angles C4'-P-C4' energy: -3.433 flat angles P-C4'-P energy: -4.123 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: 2, replica: 10 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -23.715883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.715883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.715883 (E_RNA) where: Base-Base interactions energy: -3.873 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.840441 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.817 flat angles P-C4'-P energy: -3.198 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: 7 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -21.016210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.016210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.016210 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.097 local terms energy: -21.018730 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.783 flat angles C4'-P-C4' energy: -5.594 flat angles P-C4'-P energy: -4.403 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: 4, replica: 1 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -20.220388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.220388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.220388 (E_RNA) where: Base-Base interactions energy: 0.837 where: short stacking energy: 0.837 Base-Backbone interact. energy: -0.005 local terms energy: -21.052371 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -4.550 tors. eta vs tors. theta energy: -0.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -21.407746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.407746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.407746 (E_RNA) where: Base-Base interactions energy: -3.502 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.115 local terms energy: -17.790890 where: bonds (distance) C4'-P energy: -5.399 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.689 flat angles P-C4'-P energy: -2.924 tors. eta vs tors. theta energy: 1.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -22.476202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.476202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.476202 (E_RNA) where: Base-Base interactions energy: -5.397 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.085 local terms energy: -16.993332 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -2.387 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: 6 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -21.688754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.688754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.688754 (E_RNA) where: Base-Base interactions energy: -0.016 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.664 local terms energy: -20.009260 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.465 flat angles P-C4'-P energy: -4.523 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: 2 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -18.360276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.360276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.360276 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.360109 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -3.635 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: 9, replica: 8 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -19.352526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.352526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.352526 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.038 local terms energy: -19.314147 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -1.900 tors. eta vs tors. theta energy: -1.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -18.750738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.750738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.750738 (E_RNA) where: Base-Base interactions energy: -4.461 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.102 local terms energy: -14.188161 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -3.105 flat angles P-C4'-P energy: -2.245 tors. eta vs tors. theta energy: 0.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -21.418001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.418001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.418001 (E_RNA) where: Base-Base interactions energy: -0.339 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.037 local terms energy: -21.041220 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.137 flat angles P-C4'-P energy: -3.719 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: 2, replica: 7 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -22.968792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.968792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.968792 (E_RNA) where: Base-Base interactions energy: -4.984 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.080 local terms energy: -17.904322 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -4.206 flat angles C4'-P-C4' energy: -3.502 flat angles P-C4'-P energy: -4.243 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: 3, replica: 10 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -20.935727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.935727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.935727 (E_RNA) where: Base-Base interactions energy: -1.681 where: short stacking energy: 0.003 Base-Backbone interact. energy: -0.250 local terms energy: -19.005095 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -4.463 flat angles P-C4'-P energy: -3.727 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: 4, replica: 9 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -20.417149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.417149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.417149 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.054 local terms energy: -20.363041 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -3.983 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: 5, replica: 1 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -20.676435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.676435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.676435 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.676392 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.015 flat angles P-C4'-P energy: -3.108 tors. eta vs tors. theta energy: -2.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -22.211481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.211481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.211481 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.211478 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.157 flat angles P-C4'-P energy: -4.061 tors. eta vs tors. theta energy: -1.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -19.811192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.811192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.811192 (E_RNA) where: Base-Base interactions energy: -2.173 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.194 local terms energy: -17.444291 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -4.366 tors. eta vs tors. theta energy: 3.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -20.406398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.406398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.406398 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.400289 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -4.127 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -3.959 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: 279 Temperature: 1.300000 Total energy: -19.620618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.620618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.620618 (E_RNA) where: Base-Base interactions energy: 0.409 where: short stacking energy: 0.409 Base-Backbone interact. energy: 0.136 local terms energy: -20.166226 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -4.687 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: 5 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -18.537540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.537540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.537540 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.888 local terms energy: -17.649824 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -4.902 flat angles P-C4'-P energy: -4.523 tors. eta vs tors. theta energy: 1.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -21.865682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.865682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.865682 (E_RNA) where: Base-Base interactions energy: -1.916 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.103 local terms energy: -19.846182 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.750 flat angles P-C4'-P energy: -3.337 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: 2, replica: 3 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -24.925937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.925937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.925937 (E_RNA) where: Base-Base interactions energy: -5.701 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -19.140929 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.826 flat angles P-C4'-P energy: -4.172 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: 3, replica: 9 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -23.257667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.257667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.257667 (E_RNA) where: Base-Base interactions energy: -5.153 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -18.094195 where: bonds (distance) C4'-P energy: -3.490 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -3.518 flat angles P-C4'-P energy: -3.423 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: 4, replica: 10 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -25.461893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.461893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.461893 (E_RNA) where: Base-Base interactions energy: -2.924 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -22.537591 where: bonds (distance) C4'-P energy: -3.528 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.961 flat angles P-C4'-P energy: -4.883 tors. eta vs tors. theta energy: -3.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -20.038177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.038177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.038177 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.906 local terms energy: -19.132664 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.626 flat angles P-C4'-P energy: -4.731 tors. eta vs tors. theta energy: 1.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -21.093556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.093556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.093556 (E_RNA) where: Base-Base interactions energy: -0.222 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.725 local terms energy: -20.146051 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -3.940 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: 7, replica: 8 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -23.693661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.693661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.693661 (E_RNA) where: Base-Base interactions energy: -5.792 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.106 local terms energy: -17.795369 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.972 flat angles P-C4'-P energy: -1.449 tors. eta vs tors. theta energy: -0.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -20.299173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.299173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.299173 (E_RNA) where: Base-Base interactions energy: 0.851 where: short stacking energy: 0.851 Base-Backbone interact. energy: -0.071 local terms energy: -21.079170 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.448 flat angles P-C4'-P energy: -4.946 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: 9, replica: 5 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -20.301823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.301823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.301823 (E_RNA) where: Base-Base interactions energy: -5.359 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.205 local terms energy: -14.737788 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.846 flat angles P-C4'-P energy: -2.256 tors. eta vs tors. theta energy: 2.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -18.557604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.557604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.557604 (E_RNA) where: Base-Base interactions energy: 0.109 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -18.645192 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -3.522 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: 1, replica: 7 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -25.029325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.029325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.029325 (E_RNA) where: Base-Base interactions energy: -5.707 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -19.299615 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.397 flat angles P-C4'-P energy: -3.622 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: 2, replica: 9 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -21.208734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.208734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.208734 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.207915 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.588 flat angles P-C4'-P energy: -4.302 tors. eta vs tors. theta energy: -2.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -20.596026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.596026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.596026 (E_RNA) where: Base-Base interactions energy: 0.269 where: short stacking energy: 0.269 Base-Backbone interact. energy: -0.101 local terms energy: -20.763842 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.743 flat angles P-C4'-P energy: -3.905 tors. eta vs tors. theta energy: -2.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -19.656504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.656504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.656504 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.036 local terms energy: -19.920587 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -3.508 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: 5, replica: 10 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -20.650722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.650722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.650722 (E_RNA) where: Base-Base interactions energy: -4.503 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.180 local terms energy: -15.968312 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -1.050 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: 6, replica: 8 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -21.485839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.485839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.485839 (E_RNA) where: Base-Base interactions energy: -1.515 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -19.950719 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -3.540 flat angles P-C4'-P energy: -4.026 tors. eta vs tors. theta energy: -1.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -19.976099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.976099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.976099 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.037 local terms energy: -19.939311 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.587 flat angles P-C4'-P energy: -3.884 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: 8, replica: 5 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -19.137686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.137686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.137686 (E_RNA) where: Base-Base interactions energy: -5.715 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.153 local terms energy: -13.269027 where: bonds (distance) C4'-P energy: -3.615 bonds (distance) P-C4' energy: -4.072 flat angles C4'-P-C4' energy: -3.788 flat angles P-C4'-P energy: -4.285 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: 9, replica: 4 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -21.934941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.934941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.934941 (E_RNA) where: Base-Base interactions energy: 0.137 where: short stacking energy: 0.137 Base-Backbone interact. energy: -0.000 local terms energy: -22.072324 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -4.414 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: 2 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -18.601341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.601341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.601341 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -18.579890 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -3.187 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: 1, replica: 9 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -23.322595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.322595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.322595 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.506 local terms energy: -23.116607 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -2.260 tors. eta vs tors. theta energy: -4.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -23.198678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.198678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.198678 (E_RNA) where: Base-Base interactions energy: -8.468 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -14.719411 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.030 flat angles P-C4'-P energy: -1.753 tors. eta vs tors. theta energy: 2.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -22.803144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.803144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.803144 (E_RNA) where: Base-Base interactions energy: -2.399 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.283 local terms energy: -20.121678 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -2.509 tors. eta vs tors. theta energy: -1.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -20.538169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.538169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.538169 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -20.530412 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.276 flat angles P-C4'-P energy: -3.622 tors. eta vs tors. theta energy: -1.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -21.609895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.609895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.609895 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.609853 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.531 flat angles P-C4'-P energy: -3.630 tors. eta vs tors. theta energy: -1.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -18.848683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.848683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.848683 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.074 local terms energy: -18.774521 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.290 flat angles C4'-P-C4' energy: -4.711 flat angles P-C4'-P energy: -2.631 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: 7, replica: 5 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -20.686527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.686527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.686527 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -20.673061 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -3.075 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -3.543 tors. eta vs tors. theta energy: -3.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -19.792280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.792280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.792280 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -19.784903 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.242 flat angles P-C4'-P energy: -2.978 tors. eta vs tors. theta energy: -2.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -21.384975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.384975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.384975 (E_RNA) where: Base-Base interactions energy: -3.591 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -17.781771 where: bonds (distance) C4'-P energy: -4.832 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -4.093 flat angles P-C4'-P energy: -2.998 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: 4 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -18.987859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.987859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.987859 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.987585 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -4.153 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: 9 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -21.908102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.908102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.908102 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.019 local terms energy: -21.889022 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.411 flat angles P-C4'-P energy: -2.954 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: 2, replica: 6 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -21.785223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.785223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.785223 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.784983 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -4.506 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: 3, replica: 7 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -21.954689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.954689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.954689 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.954688 where: bonds (distance) C4'-P energy: -5.312 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.579 flat angles P-C4'-P energy: -4.724 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: 8 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -20.349494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.349494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.349494 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.052 local terms energy: -20.297938 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -3.780 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: 5, replica: 3 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -20.473946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.473946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.473946 (E_RNA) where: Base-Base interactions energy: -1.535 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -18.929956 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.514 flat angles P-C4'-P energy: -2.882 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: 6, replica: 5 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -20.298040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.298040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.298040 (E_RNA) where: Base-Base interactions energy: -3.287 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -17.005518 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.727 flat angles P-C4'-P energy: -4.197 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: 7, replica: 10 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -18.863639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.863639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.863639 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.861803 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.247 flat angles P-C4'-P energy: -3.507 tors. eta vs tors. theta energy: -0.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -18.809860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.809860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.809860 (E_RNA) where: Base-Base interactions energy: -0.376 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -18.334006 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -3.665 flat angles P-C4'-P energy: -1.815 tors. eta vs tors. theta energy: -3.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -18.063889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.063889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.063889 (E_RNA) where: Base-Base interactions energy: -0.901 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -17.156155 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.344 flat angles P-C4'-P energy: -4.002 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: 10, replica: 4 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -18.540623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.540623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.540623 (E_RNA) where: Base-Base interactions energy: -1.754 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -16.774190 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.361 flat angles P-C4'-P energy: -3.240 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: 1, replica: 6 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -21.968592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.968592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.968592 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.968584 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -4.529 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -3.842 tors. eta vs tors. theta energy: -3.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -23.823563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.823563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.823563 (E_RNA) where: Base-Base interactions energy: -5.289 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.040 local terms energy: -18.494563 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -2.250 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: 3, replica: 8 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -22.579337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.579337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.579337 (E_RNA) where: Base-Base interactions energy: -5.002 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.041 local terms energy: -17.536161 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -4.476 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -4.104 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: 4, replica: 7 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -20.878666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.878666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.878666 (E_RNA) where: Base-Base interactions energy: -1.779 where: short stacking energy: 0.500 Base-Backbone interact. energy: -0.023 local terms energy: -19.075835 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.073 flat angles P-C4'-P energy: -2.992 tors. eta vs tors. theta energy: -1.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -21.331513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.331513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.331513 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.331069 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -4.598 tors. eta vs tors. theta energy: -1.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -19.750988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.750988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.750988 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -19.730505 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.406 flat angles P-C4'-P energy: -4.513 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: 7, replica: 2 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -19.281464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.281464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.281464 (E_RNA) where: Base-Base interactions energy: 0.142 where: short stacking energy: 0.142 Base-Backbone interact. energy: -0.023 local terms energy: -19.400765 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -4.644 flat angles P-C4'-P energy: -2.575 tors. eta vs tors. theta energy: -3.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -23.896989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.896989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.896989 (E_RNA) where: Base-Base interactions energy: -1.080 where: short stacking energy: 0.018 Base-Backbone interact. energy: -0.000 local terms energy: -22.816891 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -5.111 flat angles P-C4'-P energy: -4.716 tors. eta vs tors. theta energy: -1.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -18.918112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.918112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.918112 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.076 local terms energy: -18.842191 where: bonds (distance) C4'-P energy: -3.093 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -5.750 flat angles P-C4'-P energy: -3.626 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: 1 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -19.750589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.750589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.750589 (E_RNA) where: Base-Base interactions energy: 0.144 where: short stacking energy: 0.144 Base-Backbone interact. energy: -0.070 local terms energy: -19.824830 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: 0.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -21.464512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.464512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.464512 (E_RNA) where: Base-Base interactions energy: 0.666 where: short stacking energy: 0.666 Base-Backbone interact. energy: -0.643 local terms energy: -21.487592 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -2.922 flat angles P-C4'-P energy: -3.991 tors. eta vs tors. theta energy: -3.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -24.396979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.396979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.396979 (E_RNA) where: Base-Base interactions energy: -2.488 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -21.889281 where: bonds (distance) C4'-P energy: -3.995 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.974 flat angles P-C4'-P energy: -4.342 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: 9 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -20.403873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.403873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.403873 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.403416 where: bonds (distance) C4'-P energy: -4.306 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.842 flat angles P-C4'-P energy: -2.662 tors. eta vs tors. theta energy: -2.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -21.302993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.302993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.302993 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.302322 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.808 flat angles P-C4'-P energy: -4.371 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: 285 Temperature: 1.100000 Total energy: -19.874765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.874765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.874765 (E_RNA) where: Base-Base interactions energy: -4.104 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.038 local terms energy: -15.732374 where: bonds (distance) C4'-P energy: -1.760 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.354 flat angles P-C4'-P energy: -3.735 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: 6, replica: 2 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -20.461298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.461298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.461298 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.546 local terms energy: -19.915151 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.255 flat angles P-C4'-P energy: -4.675 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: 7, replica: 3 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -19.953740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.953740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.953740 (E_RNA) where: Base-Base interactions energy: 0.552 where: short stacking energy: 0.152 Base-Backbone interact. energy: -0.000 local terms energy: -20.505247 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.351 flat angles P-C4'-P energy: -2.483 tors. eta vs tors. theta energy: -3.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -21.129743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.129743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.129743 (E_RNA) where: Base-Base interactions energy: -6.231 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.376 local terms energy: -14.522461 where: bonds (distance) C4'-P energy: -3.126 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -1.602 tors. eta vs tors. theta energy: 0.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -20.188881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.188881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.188881 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.182 local terms energy: -20.006849 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -3.969 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: 1 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -17.981054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.981054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.981054 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -17.980822 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -4.178 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -3.953 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: 8 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -21.147335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.147335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.147335 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -21.247076 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -4.424 flat angles P-C4'-P energy: -4.111 tors. eta vs tors. theta energy: -3.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -22.022791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.022791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.022791 (E_RNA) where: Base-Base interactions energy: -5.291 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.134 local terms energy: -16.597428 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.375 flat angles P-C4'-P energy: -4.513 tors. eta vs tors. theta energy: 2.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -22.221960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.221960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.221960 (E_RNA) where: Base-Base interactions energy: -2.322 where: short stacking energy: 0.134 Base-Backbone interact. energy: -0.000 local terms energy: -19.899939 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.322 flat angles P-C4'-P energy: -1.725 tors. eta vs tors. theta energy: -3.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -20.390898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.390898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.390898 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.387021 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.311 flat angles P-C4'-P energy: -3.676 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: 5, replica: 2 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -21.178864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.178864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.178864 (E_RNA) where: Base-Base interactions energy: -0.459 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -20.710849 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.124 flat angles P-C4'-P energy: -4.159 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: 6, replica: 7 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -21.406404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.406404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.406404 (E_RNA) where: Base-Base interactions energy: -1.426 where: short stacking energy: 0.358 Base-Backbone interact. energy: -0.005 local terms energy: -19.975662 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.570 flat angles P-C4'-P energy: -4.515 tors. eta vs tors. theta energy: 0.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -20.673676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.673676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.673676 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.670389 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -4.957 flat angles P-C4'-P energy: -4.075 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: 8, replica: 3 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -19.767290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.767290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.767290 (E_RNA) where: Base-Base interactions energy: -3.709 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -16.028510 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -2.567 flat angles P-C4'-P energy: -4.351 tors. eta vs tors. theta energy: 1.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -19.808428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.808428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.808428 (E_RNA) where: Base-Base interactions energy: -1.555 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.056 local terms energy: -18.197408 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.440 flat angles P-C4'-P energy: -2.744 tors. eta vs tors. theta energy: 1.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -20.828053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.828053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.828053 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.859 local terms energy: -19.969479 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.813 flat angles P-C4'-P energy: -2.214 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: 1, replica: 8 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -22.251619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.251619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.251619 (E_RNA) where: Base-Base interactions energy: -4.800 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.223 local terms energy: -17.228981 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -3.542 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: 2, replica: 5 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -21.808416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.808416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.808416 (E_RNA) where: Base-Base interactions energy: -4.828 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.164 local terms energy: -16.815902 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.182 flat angles P-C4'-P energy: -3.963 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: 3, replica: 6 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -20.573961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.573961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.573961 (E_RNA) where: Base-Base interactions energy: -2.336 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -18.209674 where: bonds (distance) C4'-P energy: -1.503 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.981 flat angles P-C4'-P energy: -4.874 tors. eta vs tors. theta energy: -0.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -21.490075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.490075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.490075 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -21.389637 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.972 flat angles P-C4'-P energy: -4.952 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: 5, replica: 9 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -20.069354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.069354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.069354 (E_RNA) where: Base-Base interactions energy: -3.433 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -16.608404 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -3.386 flat angles P-C4'-P energy: -3.811 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: 6, replica: 4 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -19.851133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.851133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.851133 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.849360 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.089 flat angles P-C4'-P energy: -4.173 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: 7, replica: 7 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -20.031138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.031138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.031138 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.149 local terms energy: -19.881913 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.923 flat angles P-C4'-P energy: -4.712 tors. eta vs tors. theta energy: 0.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -19.731360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.731360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.731360 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -19.702539 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.518 flat angles P-C4'-P energy: -3.903 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: 3 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -20.293670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.293670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.293670 (E_RNA) where: Base-Base interactions energy: 1.263 where: short stacking energy: 1.263 Base-Backbone interact. energy: -0.003 local terms energy: -21.553441 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -2.314 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: 10 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -20.561923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.561923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.561923 (E_RNA) where: Base-Base interactions energy: 0.137 where: short stacking energy: 0.137 Base-Backbone interact. energy: -0.001 local terms energy: -20.698019 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.254 flat angles P-C4'-P energy: -3.336 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: 1, replica: 5 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -22.521131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.521131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.521131 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.521125 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.250 flat angles P-C4'-P energy: -3.207 tors. eta vs tors. theta energy: -3.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -20.876106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.876106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.876106 (E_RNA) where: Base-Base interactions energy: -1.622 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -19.169900 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -2.572 flat angles P-C4'-P energy: -3.918 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: 3, replica: 2 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -22.924152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.924152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.924152 (E_RNA) where: Base-Base interactions energy: -5.190 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -17.718407 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -2.980 flat angles P-C4'-P energy: -3.799 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: 4, replica: 6 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -20.079759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.079759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.079759 (E_RNA) where: Base-Base interactions energy: -0.790 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -19.194980 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -5.073 flat angles P-C4'-P energy: -4.014 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: 5, replica: 4 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -20.765765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.765765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.765765 (E_RNA) where: Base-Base interactions energy: -1.352 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.623 local terms energy: -18.791007 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.086 flat angles P-C4'-P energy: -2.122 tors. eta vs tors. theta energy: -0.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -19.940719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.940719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.940719 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.940669 where: bonds (distance) C4'-P energy: -3.839 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.781 flat angles P-C4'-P energy: -3.841 tors. eta vs tors. theta energy: -0.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -20.684211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.684211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.684211 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.026 local terms energy: -20.658513 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -4.389 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: 8, replica: 7 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -21.464789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.464789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.464789 (E_RNA) where: Base-Base interactions energy: -6.764 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.037 local terms energy: -14.663145 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -3.568 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -2.766 tors. eta vs tors. theta energy: 1.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -18.063504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.063504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.063504 (E_RNA) where: Base-Base interactions energy: 0.034 where: short stacking energy: 0.034 Base-Backbone interact. energy: -0.001 local terms energy: -18.096072 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.515 flat angles P-C4'-P energy: -4.025 tors. eta vs tors. theta energy: -0.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -19.509773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.509773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.509773 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -19.503926 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.672 flat angles P-C4'-P energy: -3.376 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: 1, replica: 5 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -22.228686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.228686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.228686 (E_RNA) where: Base-Base interactions energy: -1.553 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -20.579275 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -2.656 flat angles P-C4'-P energy: -3.934 tors. eta vs tors. theta energy: -2.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -22.943769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.943769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.943769 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.943732 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.558 flat angles P-C4'-P energy: -3.967 tors. eta vs tors. theta energy: -2.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -19.947767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.947767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.947767 (E_RNA) where: Base-Base interactions energy: -2.066 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.108 local terms energy: -17.773673 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -3.932 flat angles P-C4'-P energy: -4.407 tors. eta vs tors. theta energy: 1.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -20.126604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.126604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.126604 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.965 local terms energy: -19.162049 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.945 flat angles P-C4'-P energy: -3.006 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: 5, replica: 6 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -21.370489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.370489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.370489 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.370382 where: bonds (distance) C4'-P energy: -3.714 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.145 flat angles P-C4'-P energy: -3.295 tors. eta vs tors. theta energy: -3.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -21.562286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.562286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.562286 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -21.547078 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -3.055 tors. eta vs tors. theta energy: -2.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -20.510990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.510990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.510990 (E_RNA) where: Base-Base interactions energy: -1.454 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.056 local terms energy: -19.001405 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -3.516 tors. eta vs tors. theta energy: 0.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -23.522487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.522487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.522487 (E_RNA) where: Base-Base interactions energy: -5.831 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.113 local terms energy: -17.578419 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.495 flat angles P-C4'-P energy: -3.502 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: 9, replica: 7 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -20.443036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.443036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.443036 (E_RNA) where: Base-Base interactions energy: 1.336 where: short stacking energy: 1.336 Base-Backbone interact. energy: -0.030 local terms energy: -21.749358 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -4.211 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: 3 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -19.890900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.890900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.890900 (E_RNA) where: Base-Base interactions energy: -2.345 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.486 local terms energy: -17.060416 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.022 flat angles C4'-P-C4' energy: -4.946 flat angles P-C4'-P energy: -2.260 tors. eta vs tors. theta energy: -0.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -22.416222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.416222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.416222 (E_RNA) where: Base-Base interactions energy: -5.271 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.618 local terms energy: -16.526788 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.529 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -3.739 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: 5 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -21.836558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.836558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.836558 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.836551 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -5.336 flat angles P-C4'-P energy: -3.168 tors. eta vs tors. theta energy: -2.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -20.378256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.378256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.378256 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.101 local terms energy: -20.277103 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -3.669 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: 8 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -20.812400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.812400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.812400 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.122 local terms energy: -20.689934 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.689 flat angles P-C4'-P energy: -4.605 tors. eta vs tors. theta energy: -0.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -20.970818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.970818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.970818 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.970805 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -3.203 tors. eta vs tors. theta energy: -2.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -20.990413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.990413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.990413 (E_RNA) where: Base-Base interactions energy: 0.057 where: short stacking energy: 0.057 Base-Backbone interact. energy: -0.021 local terms energy: -21.025982 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.251 flat angles P-C4'-P energy: -4.468 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: 7, replica: 10 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -20.765424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.765424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.765424 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.765410 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.144 flat angles P-C4'-P energy: -3.479 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: 8, replica: 1 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -19.981353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.981353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.981353 (E_RNA) where: Base-Base interactions energy: -4.726 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.238 local terms energy: -15.017183 where: bonds (distance) C4'-P energy: -3.126 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.354 flat angles P-C4'-P energy: -4.514 tors. eta vs tors. theta energy: 1.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -19.340787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.340787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.340787 (E_RNA) where: Base-Base interactions energy: -2.773 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.197 local terms energy: -16.370640 where: bonds (distance) C4'-P energy: -2.522 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.007 flat angles P-C4'-P energy: -3.923 tors. eta vs tors. theta energy: 0.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -18.421878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.421878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.421878 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.160 local terms energy: -18.261599 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.627 flat angles P-C4'-P energy: -3.173 tors. eta vs tors. theta energy: -0.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -22.460263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.460263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.460263 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -22.456958 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -3.876 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: 2, replica: 4 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -23.883275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.883275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.883275 (E_RNA) where: Base-Base interactions energy: -5.408 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.085 local terms energy: -18.560712 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -2.659 flat angles P-C4'-P energy: -3.158 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: 5 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -22.361502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.361502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.361502 (E_RNA) where: Base-Base interactions energy: -2.902 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -19.368776 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -1.646 tors. eta vs tors. theta energy: -2.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -20.572141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.572141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.572141 (E_RNA) where: Base-Base interactions energy: -3.001 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.037 local terms energy: -17.533648 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -3.822 flat angles P-C4'-P energy: -3.899 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: 5, replica: 8 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -20.480279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.480279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.480279 (E_RNA) where: Base-Base interactions energy: 0.259 where: short stacking energy: 0.259 Base-Backbone interact. energy: -0.000 local terms energy: -20.739699 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -3.597 flat angles P-C4'-P energy: -4.081 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: 6, replica: 10 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -20.024775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.024775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.024775 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.024 local terms energy: -20.001238 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.921 flat angles P-C4'-P energy: -3.426 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: 7, replica: 6 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -20.039335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.039335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.039335 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.033 local terms energy: -20.006459 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.473 flat angles P-C4'-P energy: -4.324 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: 8, replica: 3 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -19.667873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.667873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.667873 (E_RNA) where: Base-Base interactions energy: 0.022 where: short stacking energy: 0.022 Base-Backbone interact. energy: -0.051 local terms energy: -19.639016 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.636 flat angles P-C4'-P energy: -3.591 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: 9, replica: 1 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -19.405507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.405507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.405507 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.071 local terms energy: -19.334452 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.335 flat angles P-C4'-P energy: -4.408 tors. eta vs tors. theta energy: -1.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -18.991217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.991217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.991217 (E_RNA) where: Base-Base interactions energy: -1.023 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.642 local terms energy: -17.326415 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -2.914 flat angles P-C4'-P energy: -4.408 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: 4 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -20.774349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.774349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.774349 (E_RNA) where: Base-Base interactions energy: 0.037 where: short stacking energy: 0.037 Base-Backbone interact. energy: -0.062 local terms energy: -20.749307 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.358 flat angles P-C4'-P energy: -3.798 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: 2, replica: 2 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -25.139812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.139812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.139812 (E_RNA) where: Base-Base interactions energy: -6.182 where: short stacking energy: 0.198 Base-Backbone interact. energy: -0.816 local terms energy: -18.142122 where: bonds (distance) C4'-P energy: -3.382 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.624 flat angles P-C4'-P energy: -3.349 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: 3, replica: 5 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -21.991146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.991146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.991146 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.070 local terms energy: -21.921189 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -4.188 tors. eta vs tors. theta energy: -0.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -20.422855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.422855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.422855 (E_RNA) where: Base-Base interactions energy: 1.232 where: short stacking energy: 1.232 Base-Backbone interact. energy: -0.000 local terms energy: -21.654643 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -4.815 tors. eta vs tors. theta energy: -2.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -19.874174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.874174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.874174 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.088 local terms energy: -19.785912 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -5.872 flat angles P-C4'-P energy: -3.825 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: 8 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -21.175653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.175653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.175653 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.175063 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.313 flat angles P-C4'-P energy: -3.176 tors. eta vs tors. theta energy: -2.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -20.441394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.441394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.441394 (E_RNA) where: Base-Base interactions energy: -1.909 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -18.528290 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.030 flat angles P-C4'-P energy: -3.533 tors. eta vs tors. theta energy: -0.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -19.504532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.504532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.504532 (E_RNA) where: Base-Base interactions energy: 0.209 where: short stacking energy: 0.209 Base-Backbone interact. energy: -0.006 local terms energy: -19.707602 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.138 flat angles P-C4'-P energy: -4.522 tors. eta vs tors. theta energy: 0.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -22.561229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.561229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.561229 (E_RNA) where: Base-Base interactions energy: 0.337 where: short stacking energy: 0.337 Base-Backbone interact. energy: -0.007 local terms energy: -22.891625 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -4.668 tors. eta vs tors. theta energy: -2.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -19.460848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.460848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.460848 (E_RNA) where: Base-Base interactions energy: -1.262 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.065 local terms energy: -18.133927 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.165 flat angles P-C4'-P energy: -4.645 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: 1, replica: 4 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -23.521446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.521446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.521446 (E_RNA) where: Base-Base interactions energy: -2.196 where: short stacking energy: 0.863 Base-Backbone interact. energy: -0.001 local terms energy: -21.324472 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -2.643 flat angles P-C4'-P energy: -3.859 tors. eta vs tors. theta energy: -3.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -22.268906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.268906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.268906 (E_RNA) where: Base-Base interactions energy: -5.615 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.108 local terms energy: -16.546025 where: bonds (distance) C4'-P energy: -5.097 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -3.823 flat angles P-C4'-P energy: -4.391 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: 3, replica: 2 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -23.242702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.242702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.242702 (E_RNA) where: Base-Base interactions energy: 0.050 where: short stacking energy: 0.050 Base-Backbone interact. energy: -0.000 local terms energy: -23.293105 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -2.756 tors. eta vs tors. theta energy: -3.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -21.450288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.450288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.450288 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.069 local terms energy: -21.380844 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.531 flat angles P-C4'-P energy: -4.550 tors. eta vs tors. theta energy: -0.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -21.612618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.612618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.612618 (E_RNA) where: Base-Base interactions energy: 0.101 where: short stacking energy: 0.101 Base-Backbone interact. energy: -0.002 local terms energy: -21.712098 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -2.947 flat angles P-C4'-P energy: -3.578 tors. eta vs tors. theta energy: -4.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -20.912154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.912154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.912154 (E_RNA) where: Base-Base interactions energy: -6.126 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.128 local terms energy: -14.658506 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -1.658 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: 8 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -18.508109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.508109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.508109 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.507735 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.206 flat angles C4'-P-C4' energy: -3.583 flat angles P-C4'-P energy: -2.253 tors. eta vs tors. theta energy: -2.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -19.905336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.905336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.905336 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.904606 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -4.713 flat angles P-C4'-P energy: -3.620 tors. eta vs tors. theta energy: -0.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -19.426952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.426952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.426952 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.425935 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.953 flat angles P-C4'-P energy: -3.189 tors. eta vs tors. theta energy: -1.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -19.482514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.482514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.482514 (E_RNA) where: Base-Base interactions energy: 0.062 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.074 local terms energy: -19.470304 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.285 flat angles P-C4'-P energy: -4.140 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: 1, replica: 5 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -22.982005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.982005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.982005 (E_RNA) where: Base-Base interactions energy: -2.187 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.790806 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.984 flat angles P-C4'-P energy: -3.583 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: 2, replica: 4 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -22.416131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.416131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.416131 (E_RNA) where: Base-Base interactions energy: -5.064 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.104 local terms energy: -17.247838 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.528 flat angles P-C4'-P energy: -1.718 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: 3, replica: 10 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -21.687804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.687804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.687804 (E_RNA) where: Base-Base interactions energy: -5.247 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.383 local terms energy: -16.057383 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.522 flat angles P-C4'-P energy: -2.526 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: 4, replica: 2 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -19.686885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.686885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.686885 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -19.602548 where: bonds (distance) C4'-P energy: -3.913 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.230 flat angles P-C4'-P energy: -4.201 tors. eta vs tors. theta energy: -1.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -21.593166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.593166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.593166 (E_RNA) where: Base-Base interactions energy: -5.559 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -16.029362 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -2.715 flat angles P-C4'-P energy: -3.209 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: 9 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -20.014941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.014941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.014941 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.162 local terms energy: -20.252895 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.399 flat angles P-C4'-P energy: -4.306 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: 7, replica: 7 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -20.540758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.540758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.540758 (E_RNA) where: Base-Base interactions energy: -1.560 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.113 local terms energy: -18.867175 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.630 flat angles P-C4'-P energy: -2.662 tors. eta vs tors. theta energy: -1.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -20.801372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.801372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.801372 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.801367 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.749 flat angles P-C4'-P energy: -4.057 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: 9, replica: 1 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -19.332203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.332203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.332203 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.332202 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -3.202 tors. eta vs tors. theta energy: -0.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -19.586278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.586278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.586278 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.586273 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.052 flat angles P-C4'-P energy: -3.247 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: 5 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -22.676029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.676029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.676029 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.676029 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.036 flat angles P-C4'-P energy: -4.811 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: 2, replica: 10 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -21.899954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.899954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.899954 (E_RNA) where: Base-Base interactions energy: -4.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.124 local terms energy: -18.023793 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.186 flat angles P-C4'-P energy: -3.557 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: 3, replica: 4 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -21.763647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.763647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.763647 (E_RNA) where: Base-Base interactions energy: 0.139 where: short stacking energy: 0.139 Base-Backbone interact. energy: -0.001 local terms energy: -21.901934 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.803 flat angles P-C4'-P energy: -4.760 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: 4, replica: 3 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -21.338048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.338048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.338048 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.337989 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -2.580 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: -3.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -21.600749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.600749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.600749 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.600731 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.122 flat angles P-C4'-P energy: -4.251 tors. eta vs tors. theta energy: -2.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -19.716744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.716744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.716744 (E_RNA) where: Base-Base interactions energy: 0.112 where: short stacking energy: 0.112 Base-Backbone interact. energy: -0.056 local terms energy: -19.773229 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.133 flat angles P-C4'-P energy: -2.889 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: 9 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -22.969835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.969835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.969835 (E_RNA) where: Base-Base interactions energy: -7.458 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.114 local terms energy: -15.398429 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.482 flat angles P-C4'-P energy: -3.517 tors. eta vs tors. theta energy: 3.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -21.012146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.012146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.012146 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -20.989092 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -2.926 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: 9, replica: 8 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -19.934062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.934062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.934062 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -19.835475 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.001 flat angles P-C4'-P energy: -2.452 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: 10, replica: 6 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -18.933677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.933677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.933677 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.172 local terms energy: -18.761911 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -2.748 flat angles P-C4'-P energy: -4.499 tors. eta vs tors. theta energy: -1.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -21.891347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.891347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.891347 (E_RNA) where: Base-Base interactions energy: -1.787 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.081 local terms energy: -20.022750 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -4.379 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: 2, replica: 5 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -22.096238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.096238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.096238 (E_RNA) where: Base-Base interactions energy: -6.094 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.319 local terms energy: -15.683917 where: bonds (distance) C4'-P energy: -3.987 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.513 flat angles P-C4'-P energy: -3.278 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: 3, replica: 3 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -21.108926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.108926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.108926 (E_RNA) where: Base-Base interactions energy: 0.054 where: short stacking energy: 0.054 Base-Backbone interact. energy: -0.002 local terms energy: -21.160821 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -5.265 flat angles C4'-P-C4' energy: -5.293 flat angles P-C4'-P energy: -4.583 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: 4, replica: 4 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -22.651171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.651171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.651171 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -22.649141 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.015 flat angles P-C4'-P energy: -4.419 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: 5, replica: 7 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -20.513661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.513661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.513661 (E_RNA) where: Base-Base interactions energy: -1.723 where: short stacking energy: 0.469 Base-Backbone interact. energy: -0.094 local terms energy: -18.696396 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.609 flat angles P-C4'-P energy: -4.265 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: 6, replica: 2 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -19.180887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.180887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.180887 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.178876 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -4.153 tors. eta vs tors. theta energy: -0.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -20.652330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.652330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.652330 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.648792 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -3.268 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: 8, replica: 9 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -19.365465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.365465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.365465 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.365099 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -3.003 tors. eta vs tors. theta energy: -1.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -20.331185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.331185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.331185 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.331147 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.438 flat angles P-C4'-P energy: -4.474 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: 8 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -19.446133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.446133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.446133 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.019 local terms energy: -19.426951 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.745 flat angles P-C4'-P energy: -4.439 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: 10 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -22.328380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.328380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.328380 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -22.327657 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.726 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: -3.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -20.128933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.128933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.128933 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.128848 where: bonds (distance) C4'-P energy: -3.570 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -4.807 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: 3, replica: 5 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -22.246486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.246486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.246486 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.246486 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -2.790 tors. eta vs tors. theta energy: -2.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -22.147018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.147018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.147018 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.147014 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -3.909 tors. eta vs tors. theta energy: -3.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -19.808380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.808380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.808380 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.054 local terms energy: -19.754386 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -4.255 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -4.518 tors. eta vs tors. theta energy: -0.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -19.942422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.942422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.942422 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.941079 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -4.515 flat angles P-C4'-P energy: -4.109 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: 2 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -20.825460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.825460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.825460 (E_RNA) where: Base-Base interactions energy: -2.510 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.106 local terms energy: -18.209985 where: bonds (distance) C4'-P energy: -3.652 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.552 flat angles P-C4'-P energy: -3.888 tors. eta vs tors. theta energy: -0.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -19.875669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.875669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.875669 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.197 local terms energy: -20.072520 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -4.218 flat angles P-C4'-P energy: -4.525 tors. eta vs tors. theta energy: -0.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -21.693844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.693844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.693844 (E_RNA) where: Base-Base interactions energy: -4.700 where: short stacking energy: 0.641 Base-Backbone interact. energy: -0.032 local terms energy: -16.961781 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -2.784 flat angles P-C4'-P energy: -3.310 tors. eta vs tors. theta energy: -0.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -18.977314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.977314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.977314 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.976815 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -3.458 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: 1, replica: 3 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -21.813817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.813817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.813817 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.813605 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.661 flat angles P-C4'-P energy: -3.587 tors. eta vs tors. theta energy: -2.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -22.483323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.483323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.483323 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.483238 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -2.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -21.704089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.704089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.704089 (E_RNA) where: Base-Base interactions energy: -4.784 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.065 local terms energy: -16.855003 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -3.139 tors. eta vs tors. theta energy: 1.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -23.038975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.038975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.038975 (E_RNA) where: Base-Base interactions energy: -5.856 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.192 local terms energy: -16.991140 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -4.226 flat angles P-C4'-P energy: -4.125 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: 5, replica: 1 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -21.221132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.221132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.221132 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -21.214072 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -4.297 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: 4 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -18.942148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.942148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.942148 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -18.844757 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.214 flat angles P-C4'-P energy: -3.492 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: 7, replica: 6 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -18.929512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.929512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.929512 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.399 local terms energy: -18.530169 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -3.763 tors. eta vs tors. theta energy: 1.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -19.847300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.847300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.847300 (E_RNA) where: Base-Base interactions energy: -1.316 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -18.519262 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -3.107 tors. eta vs tors. theta energy: 0.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -18.832734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.832734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.832734 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -18.932294 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.103 flat angles P-C4'-P energy: -4.117 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: 9 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -18.868037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.868037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.868037 (E_RNA) where: Base-Base interactions energy: 0.196 where: short stacking energy: 0.196 Base-Backbone interact. energy: -0.042 local terms energy: -19.021760 where: bonds (distance) C4'-P energy: -2.923 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -3.979 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: 3 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -21.671273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.671273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.671273 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.671135 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.340 flat angles P-C4'-P energy: -3.683 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: 2, replica: 7 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -21.776926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.776926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.776926 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.776895 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.447 flat angles P-C4'-P energy: -4.236 tors. eta vs tors. theta energy: -3.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -21.032961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.032961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.032961 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.032961 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -4.420 tors. eta vs tors. theta energy: -1.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -20.726220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.726220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.726220 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -20.715116 where: bonds (distance) C4'-P energy: -5.205 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -3.795 tors. eta vs tors. theta energy: -0.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -21.017661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.017661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.017661 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.015897 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.420 flat angles P-C4'-P energy: -3.832 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: 6, replica: 6 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -19.632802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.632802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.632802 (E_RNA) where: Base-Base interactions energy: 0.324 where: short stacking energy: 0.324 Base-Backbone interact. energy: -0.063 local terms energy: -19.893168 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.036 flat angles P-C4'-P energy: -3.219 tors. eta vs tors. theta energy: -1.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -20.153309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.153309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.153309 (E_RNA) where: Base-Base interactions energy: -5.747 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.217 local terms energy: -14.189397 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.081 flat angles P-C4'-P energy: -4.533 tors. eta vs tors. theta energy: 3.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -19.748120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.748120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.748120 (E_RNA) where: Base-Base interactions energy: 0.078 where: short stacking energy: 0.078 Base-Backbone interact. energy: -0.000 local terms energy: -19.826071 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -1.603 tors. eta vs tors. theta energy: -2.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -18.829150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.829150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.829150 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -18.809598 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -4.462 flat angles P-C4'-P energy: -4.315 tors. eta vs tors. theta energy: 0.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -22.303947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.303947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.303947 (E_RNA) where: Base-Base interactions energy: -3.933 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.113 local terms energy: -18.258007 where: bonds (distance) C4'-P energy: -4.439 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.215 flat angles P-C4'-P energy: -2.562 tors. eta vs tors. theta energy: -1.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -22.592007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.592007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.592007 (E_RNA) where: Base-Base interactions energy: -5.331 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.130 local terms energy: -17.130642 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.293 flat angles P-C4'-P energy: -3.390 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: 2, replica: 3 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -24.831517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.831517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.831517 (E_RNA) where: Base-Base interactions energy: -7.020 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.762 local terms energy: -17.049500 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.921 flat angles P-C4'-P energy: -3.513 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: 3, replica: 1 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -22.728849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.728849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.728849 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -22.720954 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.009 flat angles P-C4'-P energy: -3.718 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: 10 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -19.371059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.371059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.371059 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.032 local terms energy: -19.339314 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.279 flat angles P-C4'-P energy: -4.107 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: 5, replica: 6 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -19.946858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.946858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.946858 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -19.939724 where: bonds (distance) C4'-P energy: -3.412 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -4.086 tors. eta vs tors. theta energy: -1.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -21.139646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.139646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.139646 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.287 local terms energy: -19.853108 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.186 flat angles P-C4'-P energy: -3.413 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: 7, replica: 8 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -18.366171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.366171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.366171 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.001 local terms energy: -18.564772 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.449 flat angles P-C4'-P energy: -4.056 tors. eta vs tors. theta energy: 2.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -21.778306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.778306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.778306 (E_RNA) where: Base-Base interactions energy: -4.807 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.231 local terms energy: -16.740843 where: bonds (distance) C4'-P energy: -3.305 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -4.294 tors. eta vs tors. theta energy: 1.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -20.075104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.075104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.075104 (E_RNA) where: Base-Base interactions energy: -5.409 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.036 local terms energy: -14.629941 where: bonds (distance) C4'-P energy: -2.902 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.880 flat angles P-C4'-P energy: -3.393 tors. eta vs tors. theta energy: 1.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -18.405949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.405949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.405949 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -18.384827 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -4.679 flat angles C4'-P-C4' energy: -4.864 flat angles P-C4'-P energy: -2.300 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: 7 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -22.592849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.592849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.592849 (E_RNA) where: Base-Base interactions energy: -0.509 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.085 local terms energy: -20.999479 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.675 flat angles P-C4'-P energy: -2.921 tors. eta vs tors. theta energy: -2.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -21.267393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.267393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.267393 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -21.263124 where: bonds (distance) C4'-P energy: -4.129 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -4.541 tors. eta vs tors. theta energy: -1.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -19.834620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.834620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.834620 (E_RNA) where: Base-Base interactions energy: -1.126 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.107 local terms energy: -18.602215 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.755 flat angles P-C4'-P energy: -3.470 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: 4, replica: 6 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -20.040501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.040501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.040501 (E_RNA) where: Base-Base interactions energy: -0.883 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.103 local terms energy: -19.054943 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -4.782 flat angles C4'-P-C4' energy: -5.574 flat angles P-C4'-P energy: -2.990 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: 5, replica: 10 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -20.715752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.715752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.715752 (E_RNA) where: Base-Base interactions energy: 0.369 where: short stacking energy: 0.369 Base-Backbone interact. energy: -0.007 local terms energy: -21.078507 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.696 flat angles P-C4'-P energy: -4.407 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: 6, replica: 8 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -19.820911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.820911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.820911 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.818429 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -4.217 tors. eta vs tors. theta energy: 0.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -21.383163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.383163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.383163 (E_RNA) where: Base-Base interactions energy: -1.881 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -19.471878 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -4.259 tors. eta vs tors. theta energy: 0.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -22.934367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.934367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.934367 (E_RNA) where: Base-Base interactions energy: -1.006 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.002 local terms energy: -21.926470 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.042 flat angles P-C4'-P energy: -4.469 tors. eta vs tors. theta energy: -3.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -19.223408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.223408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.223408 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.222026 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -3.881 flat angles P-C4'-P energy: -3.594 tors. eta vs tors. theta energy: -2.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -20.349655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.349655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.349655 (E_RNA) where: Base-Base interactions energy: -4.156 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -16.097071 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.254 flat angles P-C4'-P energy: -4.342 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: 1 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -21.647315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.647315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.647315 (E_RNA) where: Base-Base interactions energy: -5.211 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.348 local terms energy: -16.088973 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -2.545 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: 7 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -21.281454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.281454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.281454 (E_RNA) where: Base-Base interactions energy: -5.277 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.667 local terms energy: -16.671284 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.684 flat angles P-C4'-P energy: -2.961 tors. eta vs tors. theta energy: 0.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -21.385118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.385118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.385118 (E_RNA) where: Base-Base interactions energy: -3.239 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.055 local terms energy: -18.090244 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.175 flat angles P-C4'-P energy: -3.311 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: 4, replica: 3 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -20.621778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.621778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.621778 (E_RNA) where: Base-Base interactions energy: 0.025 where: short stacking energy: 0.025 Base-Backbone interact. energy: -0.019 local terms energy: -20.628648 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -4.342 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: 5, replica: 8 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -20.534906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.534906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.534906 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.958 local terms energy: -19.577034 where: bonds (distance) C4'-P energy: -4.245 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -3.216 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: 6, replica: 10 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -19.669472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.669472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.669472 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.072 local terms energy: -19.597519 where: bonds (distance) C4'-P energy: -4.245 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -3.096 tors. eta vs tors. theta energy: -0.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -20.296934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.296934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.296934 (E_RNA) where: Base-Base interactions energy: -0.124 where: short stacking energy: 0.310 Base-Backbone interact. energy: -0.028 local terms energy: -20.145259 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -4.258 flat angles C4'-P-C4' energy: -4.764 flat angles P-C4'-P energy: -4.378 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: 8, replica: 5 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -19.638162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.638162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.638162 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.535 local terms energy: -19.103483 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -4.831 flat angles P-C4'-P energy: -4.656 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: 9, replica: 2 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -19.252889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.252889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.252889 (E_RNA) where: Base-Base interactions energy: 0.362 where: short stacking energy: 0.362 Base-Backbone interact. energy: -0.005 local terms energy: -19.609792 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -2.263 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: -2.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -19.666388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.666388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.666388 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.665986 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.122 flat angles P-C4'-P energy: -2.019 tors. eta vs tors. theta energy: -2.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -22.791971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.791971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.791971 (E_RNA) where: Base-Base interactions energy: -6.040 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.102 local terms energy: -16.650392 where: bonds (distance) C4'-P energy: -3.669 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -3.041 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: 2, replica: 6 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -24.537494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.537494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.537494 (E_RNA) where: Base-Base interactions energy: -4.795 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.676 local terms energy: -19.066376 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.123 flat angles P-C4'-P energy: -0.807 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: 3, replica: 7 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -21.420729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.420729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.420729 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -21.393824 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.763 flat angles P-C4'-P energy: -4.720 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: 4, replica: 3 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -21.608268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.608268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.608268 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -21.515706 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -4.635 tors. eta vs tors. theta energy: -1.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -18.853318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.853318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.853318 (E_RNA) where: Base-Base interactions energy: -2.577 where: short stacking energy: 2.300 Base-Backbone interact. energy: -0.019 local terms energy: -16.256907 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.259 flat angles P-C4'-P energy: -3.004 tors. eta vs tors. theta energy: 1.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -19.909250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.909250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.909250 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.909043 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.817 flat angles C4'-P-C4' energy: -3.938 flat angles P-C4'-P energy: -4.705 tors. eta vs tors. theta energy: -1.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -19.851161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.851161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.851161 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.850640 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -4.180 flat angles P-C4'-P energy: -2.663 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: 8, replica: 2 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -18.137474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.137474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.137474 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.037 local terms energy: -18.100188 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.311 flat angles P-C4'-P energy: -4.059 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: 9, replica: 5 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -19.671933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.671933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.671933 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -20.061477 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -2.700 tors. eta vs tors. theta energy: -1.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -19.977588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.977588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.977588 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.975883 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.155 flat angles P-C4'-P energy: -3.867 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: 1, replica: 6 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -22.940628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.940628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.940628 (E_RNA) where: Base-Base interactions energy: -4.688 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.142 local terms energy: -18.110474 where: bonds (distance) C4'-P energy: -3.428 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -3.224 tors. eta vs tors. theta energy: 0.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -21.616867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.616867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.616867 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.000 local terms energy: -21.816863 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.194 flat angles P-C4'-P energy: -2.966 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: 3, replica: 3 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -20.276892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.276892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.276892 (E_RNA) where: Base-Base interactions energy: -0.970 where: short stacking energy: 1.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.306384 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.281 flat angles P-C4'-P energy: -3.317 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: 4, replica: 7 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -19.729330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.729330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.729330 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.729321 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -3.920 flat angles C4'-P-C4' energy: -4.834 flat angles P-C4'-P energy: -3.874 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: 5, replica: 9 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -21.681680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.681680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.681680 (E_RNA) where: Base-Base interactions energy: -5.141 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -16.442638 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.973 flat angles P-C4'-P energy: -3.273 tors. eta vs tors. theta energy: 2.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -19.981307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.981307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.981307 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -19.975054 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.415 flat angles P-C4'-P energy: -2.692 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: 2 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -20.671608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.671608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.671608 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -20.641308 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.413 flat angles P-C4'-P energy: -4.383 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: 304 Temperature: 1.250000 Total energy: -20.265279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.265279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.265279 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.265226 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.842 flat angles P-C4'-P energy: -3.812 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: 9, replica: 4 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -18.728212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.728212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.728212 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.728186 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.065 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -4.080 tors. eta vs tors. theta energy: -0.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -20.991373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.991373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.991373 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -20.891728 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -3.457 flat angles P-C4'-P energy: -4.301 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: 1, replica: 6 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -22.784143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.784143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.784143 (E_RNA) where: Base-Base interactions energy: -1.304 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -21.463045 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.427 flat angles C4'-P-C4' energy: -5.541 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -1.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -21.164713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.164713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.164713 (E_RNA) where: Base-Base interactions energy: -5.464 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.140 local terms energy: -15.560776 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.353 flat angles P-C4'-P energy: -3.538 tors. eta vs tors. theta energy: 2.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -19.847138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.847138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.847138 (E_RNA) where: Base-Base interactions energy: 0.048 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -19.864187 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.238 flat angles P-C4'-P energy: -2.434 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: 9 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -23.096750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.096750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.096750 (E_RNA) where: Base-Base interactions energy: -5.182 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.064 local terms energy: -17.850427 where: bonds (distance) C4'-P energy: -3.098 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -4.450 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: 5, replica: 7 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -21.188464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.188464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.188464 (E_RNA) where: Base-Base interactions energy: -2.038 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.026 local terms energy: -19.124223 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -4.767 tors. eta vs tors. theta energy: 1.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -18.620368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.620368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.620368 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.620292 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.073 flat angles P-C4'-P energy: -3.952 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: 7, replica: 8 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -19.461046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.461046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.461046 (E_RNA) where: Base-Base interactions energy: 0.652 where: short stacking energy: 0.652 Base-Backbone interact. energy: -0.878 local terms energy: -19.235540 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.041 flat angles P-C4'-P energy: -4.684 tors. eta vs tors. theta energy: 0.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -19.241574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.241574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.241574 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.239282 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.525 flat angles P-C4'-P energy: -3.068 tors. eta vs tors. theta energy: -0.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -20.237276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.237276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.237276 (E_RNA) where: Base-Base interactions energy: -0.325 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -19.816300 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.590 flat angles P-C4'-P energy: -4.779 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: 10, replica: 5 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -20.543656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.543656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.543656 (E_RNA) where: Base-Base interactions energy: -1.786 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -18.737952 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.371 flat angles P-C4'-P energy: -3.687 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: 1, replica: 3 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -24.060679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.060679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.060679 (E_RNA) where: Base-Base interactions energy: -5.642 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.076 local terms energy: -18.343158 where: bonds (distance) C4'-P energy: -4.571 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -3.622 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: 2, replica: 6 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -20.209600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.209600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.209600 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -20.199785 where: bonds (distance) C4'-P energy: -4.537 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -4.957 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: 3, replica: 9 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -23.062925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.062925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.062925 (E_RNA) where: Base-Base interactions energy: -4.182 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.105 local terms energy: -18.776174 where: bonds (distance) C4'-P energy: -4.654 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -3.464 tors. eta vs tors. theta energy: 0.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -21.140199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.140199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.140199 (E_RNA) where: Base-Base interactions energy: 0.053 where: short stacking energy: 0.053 Base-Backbone interact. energy: -0.032 local terms energy: -21.160975 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -3.920 tors. eta vs tors. theta energy: -1.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -20.129233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.129233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.129233 (E_RNA) where: Base-Base interactions energy: -3.356 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.508 local terms energy: -16.264978 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -3.975 flat angles P-C4'-P energy: -4.380 tors. eta vs tors. theta energy: 2.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -22.465607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.465607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.465607 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.465596 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -4.258 flat angles C4'-P-C4' energy: -4.851 flat angles P-C4'-P energy: -3.975 tors. eta vs tors. theta energy: -4.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -19.529749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.529749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.529749 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.529434 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -3.487 tors. eta vs tors. theta energy: -0.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -18.708557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.708557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.708557 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -18.705049 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -3.572 flat angles P-C4'-P energy: -4.038 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: 5 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -18.983318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.983318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.983318 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -18.974870 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.582 flat angles P-C4'-P energy: -3.283 tors. eta vs tors. theta energy: -0.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -20.854439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.854439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.854439 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.854093 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.254 flat angles P-C4'-P energy: -2.856 tors. eta vs tors. theta energy: -4.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -20.982628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.982628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.982628 (E_RNA) where: Base-Base interactions energy: -3.023 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -17.947269 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -4.949 flat angles C4'-P-C4' energy: -5.638 flat angles P-C4'-P energy: -4.797 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: 2, replica: 9 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -22.303043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.303043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.303043 (E_RNA) where: Base-Base interactions energy: -4.347 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.178 local terms energy: -17.778052 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.856 flat angles P-C4'-P energy: -2.776 tors. eta vs tors. theta energy: 1.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -20.659903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.659903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.659903 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.659709 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -4.145 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: 4, replica: 1 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -21.357419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.357419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.357419 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.216 local terms energy: -21.573571 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -4.081 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: 5, replica: 2 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -20.858633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.858633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.858633 (E_RNA) where: Base-Base interactions energy: -1.423 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.435069 where: bonds (distance) C4'-P energy: -3.979 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -3.416 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: 6, replica: 4 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -21.709054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.709054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.709054 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.212 local terms energy: -20.497279 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -3.685 flat angles P-C4'-P energy: -4.671 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: 7, replica: 7 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -19.024046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.024046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.024046 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.024046 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -4.782 flat angles C4'-P-C4' energy: -3.759 flat angles P-C4'-P energy: -2.261 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: 8, replica: 5 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -20.956046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.956046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.956046 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.956034 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: -4.134 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: 9, replica: 8 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -17.859865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.859865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.859865 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -17.858727 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.576 flat angles P-C4'-P energy: -3.834 tors. eta vs tors. theta energy: 1.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -19.250724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.250724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.250724 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.034 local terms energy: -19.216957 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -3.110 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: 1, replica: 9 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -22.558911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.558911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.558911 (E_RNA) where: Base-Base interactions energy: -5.108 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.105 local terms energy: -17.346253 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -3.860 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -3.605 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: 3 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -21.926937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.926937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.926937 (E_RNA) where: Base-Base interactions energy: -3.510 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -18.412613 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.848 flat angles P-C4'-P energy: -4.243 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: 3, replica: 1 ===================================== Write number: 308 Temperature: 1.000000 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: -0.037 local terms energy: -21.653712 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -4.178 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: 4, replica: 6 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -21.594959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.594959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.594959 (E_RNA) where: Base-Base interactions energy: -5.270 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -16.227646 where: bonds (distance) C4'-P energy: -4.369 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.030 flat angles P-C4'-P energy: -3.544 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: 2 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -20.793041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.793041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.793041 (E_RNA) where: Base-Base interactions energy: 0.963 where: short stacking energy: 0.963 Base-Backbone interact. energy: -0.134 local terms energy: -21.622084 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -3.950 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: 6, replica: 4 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -20.193341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.193341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.193341 (E_RNA) where: Base-Base interactions energy: -3.772 where: short stacking energy: 0.110 Base-Backbone interact. energy: -0.202 local terms energy: -16.218715 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.011 flat angles P-C4'-P energy: -3.860 tors. eta vs tors. theta energy: 3.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -19.922978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.922978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.922978 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.196 local terms energy: -19.727346 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -4.458 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: 8, replica: 7 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -19.124805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.124805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.124805 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.124794 where: bonds (distance) C4'-P energy: -4.248 bonds (distance) P-C4' energy: -4.452 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -3.566 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: 9, replica: 10 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -19.033692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.033692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.033692 (E_RNA) where: Base-Base interactions energy: -2.484 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -16.544231 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -4.638 flat angles P-C4'-P energy: -4.228 tors. eta vs tors. theta energy: 1.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -21.092318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.092318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.092318 (E_RNA) where: Base-Base interactions energy: -5.071 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -15.929019 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -2.513 flat angles P-C4'-P energy: -3.258 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: 9 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -21.520865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.520865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.520865 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -21.517767 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -4.446 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: 2, replica: 1 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -20.968960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.968960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.968960 (E_RNA) where: Base-Base interactions energy: 0.419 where: short stacking energy: 0.419 Base-Backbone interact. energy: -0.827 local terms energy: -20.561320 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -3.734 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: 3, replica: 3 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -20.462101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.462101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.462101 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.841 local terms energy: -19.620645 where: bonds (distance) C4'-P energy: -4.903 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.303 flat angles P-C4'-P energy: -3.856 tors. eta vs tors. theta energy: -1.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -21.446753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.446753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.446753 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.446745 where: bonds (distance) C4'-P energy: -3.685 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -2.740 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: -4.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -19.510240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.510240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.510240 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.510095 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -4.476 flat angles C4'-P-C4' energy: -4.477 flat angles P-C4'-P energy: -3.656 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: 6, replica: 5 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -21.575569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.575569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.575569 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.575565 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -3.544 flat angles C4'-P-C4' energy: -5.750 flat angles P-C4'-P energy: -3.275 tors. eta vs tors. theta energy: -4.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -19.155747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.155747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.155747 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.050 local terms energy: -19.106216 where: bonds (distance) C4'-P energy: -3.809 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.483 flat angles P-C4'-P energy: -3.747 tors. eta vs tors. theta energy: -1.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -21.596157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.596157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.596157 (E_RNA) where: Base-Base interactions energy: -3.313 where: short stacking energy: 0.045 Base-Backbone interact. energy: -0.144 local terms energy: -18.138457 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.614 flat angles P-C4'-P energy: -2.715 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: 7 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -19.812081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.812081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.812081 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.812063 where: bonds (distance) C4'-P energy: -5.714 bonds (distance) P-C4' energy: -2.796 flat angles C4'-P-C4' energy: -3.960 flat angles P-C4'-P energy: -3.822 tors. eta vs tors. theta energy: -3.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -20.174282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.174282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.174282 (E_RNA) where: Base-Base interactions energy: -2.175 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -17.990629 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -2.143 flat angles P-C4'-P energy: -3.075 tors. eta vs tors. theta energy: -2.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -21.550615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.550615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.550615 (E_RNA) where: Base-Base interactions energy: -2.396 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -19.057247 where: bonds (distance) C4'-P energy: -3.503 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -4.487 tors. eta vs tors. theta energy: -0.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -21.404457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.404457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.404457 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -21.400655 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.850 flat angles P-C4'-P energy: -4.427 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: 2 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -20.146421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.146421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.146421 (E_RNA) where: Base-Base interactions energy: 0.193 where: short stacking energy: 0.193 Base-Backbone interact. energy: -0.016 local terms energy: -20.323487 where: bonds (distance) C4'-P energy: -3.917 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -3.544 tors. eta vs tors. theta energy: -2.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -20.935502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.935502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.935502 (E_RNA) where: Base-Base interactions energy: 0.737 where: short stacking energy: 0.737 Base-Backbone interact. energy: -0.055 local terms energy: -21.617025 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.011 flat angles P-C4'-P energy: -3.732 tors. eta vs tors. theta energy: -1.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -21.589743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.589743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.589743 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.589743 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -4.534 flat angles C4'-P-C4' energy: -5.031 flat angles P-C4'-P energy: -3.310 tors. eta vs tors. theta energy: -4.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -20.848336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.848336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.848336 (E_RNA) where: Base-Base interactions energy: 0.133 where: short stacking energy: 0.133 Base-Backbone interact. energy: -0.000 local terms energy: -20.981486 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -3.941 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: 7, replica: 10 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -21.427350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.427350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.427350 (E_RNA) where: Base-Base interactions energy: -1.149 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.321 local terms energy: -19.957128 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -5.201 flat angles P-C4'-P energy: -3.235 tors. eta vs tors. theta energy: -2.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -19.460250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.460250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.460250 (E_RNA) where: Base-Base interactions energy: -4.320 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.104 local terms energy: -15.035875 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.286 flat angles P-C4'-P energy: -1.770 tors. eta vs tors. theta energy: 0.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -18.917291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.917291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.917291 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -18.902339 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -3.694 flat angles C4'-P-C4' energy: -4.408 flat angles P-C4'-P energy: -4.445 tors. eta vs tors. theta energy: -1.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -17.741360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.741360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.741360 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -17.648899 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.239 flat angles P-C4'-P energy: -3.172 tors. eta vs tors. theta energy: -0.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -22.370378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.370378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.370378 (E_RNA) where: Base-Base interactions energy: -6.145 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -16.131601 where: bonds (distance) C4'-P energy: -3.768 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.696 flat angles P-C4'-P energy: -3.290 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: 2, replica: 2 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -22.825967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.825967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.825967 (E_RNA) where: Base-Base interactions energy: -3.196 where: short stacking energy: 0.178 Base-Backbone interact. energy: -0.535 local terms energy: -19.094512 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -3.724 tors. eta vs tors. theta energy: 1.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -21.535591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.535591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.535591 (E_RNA) where: Base-Base interactions energy: 1.223 where: short stacking energy: 0.823 Base-Backbone interact. energy: -0.666 local terms energy: -22.092038 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.658 flat angles P-C4'-P energy: -4.779 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: 4, replica: 5 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -19.766960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.766960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.766960 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.060 local terms energy: -19.706908 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.016 flat angles P-C4'-P energy: -3.882 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: 311 Temperature: 1.100000 Total energy: -21.277513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.277513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.277513 (E_RNA) where: Base-Base interactions energy: 0.097 where: short stacking energy: 0.097 Base-Backbone interact. energy: -0.000 local terms energy: -21.374970 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.043 flat angles P-C4'-P energy: -4.450 tors. eta vs tors. theta energy: -0.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -21.554384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.554384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.554384 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -21.539430 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.857 flat angles P-C4'-P energy: -3.720 tors. eta vs tors. theta energy: -2.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -21.048643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.048643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.048643 (E_RNA) where: Base-Base interactions energy: -4.571 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.375 local terms energy: -16.102340 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -3.312 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: 8, replica: 8 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -19.536496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.536496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.536496 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.534857 where: bonds (distance) C4'-P energy: -3.516 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -4.173 tors. eta vs tors. theta energy: -2.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -18.799084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.799084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.799084 (E_RNA) where: Base-Base interactions energy: -1.126 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.192 local terms energy: -17.481304 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.836 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: 2.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -19.439721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.439721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.439721 (E_RNA) where: Base-Base interactions energy: -1.785 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.550 local terms energy: -17.105022 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -3.151 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: 1, replica: 2 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -21.916003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.916003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.916003 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.915913 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.924 flat angles P-C4'-P energy: -3.397 tors. eta vs tors. theta energy: -2.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -21.335032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.335032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.335032 (E_RNA) where: Base-Base interactions energy: -4.530 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.168 local terms energy: -16.637086 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.556 flat angles P-C4'-P energy: -3.988 tors. eta vs tors. theta energy: 1.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -21.407555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.407555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.407555 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -21.396248 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.451 flat angles P-C4'-P energy: -4.363 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: 4, replica: 9 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -20.278496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.278496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.278496 (E_RNA) where: Base-Base interactions energy: -4.325 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.204 local terms energy: -15.749005 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.110 flat angles P-C4'-P energy: -1.702 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: 5, replica: 10 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -21.496098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.496098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.496098 (E_RNA) where: Base-Base interactions energy: -4.477 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.033 local terms energy: -16.986113 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.160 flat angles P-C4'-P energy: -3.115 tors. eta vs tors. theta energy: -0.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -20.291341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.291341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.291341 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.114 local terms energy: -20.177784 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -4.420 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: 8 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -22.674931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.674931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.674931 (E_RNA) where: Base-Base interactions energy: -5.474 where: short stacking energy: 0.061 Base-Backbone interact. energy: -0.098 local terms energy: -17.103053 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.057 flat angles C4'-P-C4' energy: -4.562 flat angles P-C4'-P energy: -3.363 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: 8, replica: 6 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -20.031440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.031440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.031440 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.610 local terms energy: -19.421770 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -2.436 flat angles P-C4'-P energy: -4.475 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: 9, replica: 7 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -20.794966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.794966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.794966 (E_RNA) where: Base-Base interactions energy: -4.900 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.053 local terms energy: -15.841880 where: bonds (distance) C4'-P energy: -4.509 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -3.519 flat angles P-C4'-P energy: -4.038 tors. eta vs tors. theta energy: 1.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -21.073671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.073671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.073671 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.240 local terms energy: -20.833514 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -4.429 tors. eta vs tors. theta energy: -1.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -21.239435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.239435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.239435 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.239381 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.586 flat angles P-C4'-P energy: -4.683 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: 2, replica: 5 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -21.774644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.774644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.774644 (E_RNA) where: Base-Base interactions energy: -1.121 where: short stacking energy: 0.178 Base-Backbone interact. energy: -0.002 local terms energy: -20.651721 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -3.810 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: 3, replica: 1 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -19.628336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.628336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.628336 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.053 local terms energy: -19.575071 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.098 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: -1.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -22.220248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.220248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.220248 (E_RNA) where: Base-Base interactions energy: -4.052 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.077 local terms energy: -18.091702 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.241 flat angles P-C4'-P energy: -3.604 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: 5, replica: 10 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -19.896509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.896509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.896509 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -19.885868 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.522 flat angles P-C4'-P energy: -3.603 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: 6, replica: 3 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -21.174374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.174374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.174374 (E_RNA) where: Base-Base interactions energy: -5.714 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.143 local terms energy: -15.602765 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.558 flat angles P-C4'-P energy: -2.723 tors. eta vs tors. theta energy: 3.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -20.983147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.983147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.983147 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.983137 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.413 flat angles P-C4'-P energy: -3.794 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: 8, replica: 7 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -18.270398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.270398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.270398 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.053 local terms energy: -18.217067 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -3.489 tors. eta vs tors. theta energy: 0.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -23.159512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.159512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.159512 (E_RNA) where: Base-Base interactions energy: -5.660 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.435 local terms energy: -17.064922 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -2.933 flat angles C4'-P-C4' energy: -5.203 flat angles P-C4'-P energy: -2.632 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: 10, replica: 4 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -21.481800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.481800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.481800 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.480717 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -4.306 tors. eta vs tors. theta energy: -1.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -22.218371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.218371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.218371 (E_RNA) where: Base-Base interactions energy: -2.919 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.299348 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -2.178 tors. eta vs tors. theta energy: -1.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -21.486067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.486067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.486067 (E_RNA) where: Base-Base interactions energy: -5.302 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.280 local terms energy: -15.904360 where: bonds (distance) C4'-P energy: -4.297 bonds (distance) P-C4' energy: -5.209 flat angles C4'-P-C4' energy: -5.543 flat angles P-C4'-P energy: -4.529 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: 9 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -21.493297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.493297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.493297 (E_RNA) where: Base-Base interactions energy: -5.046 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -16.439861 where: bonds (distance) C4'-P energy: -3.899 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -1.438 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: 1 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -22.818659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.818659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.818659 (E_RNA) where: Base-Base interactions energy: -0.767 where: short stacking energy: 0.202 Base-Backbone interact. energy: -0.000 local terms energy: -22.051688 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -2.839 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: 3 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -20.701005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.701005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.701005 (E_RNA) where: Base-Base interactions energy: -4.091 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.046 local terms energy: -16.563849 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -4.599 flat angles P-C4'-P energy: -3.002 tors. eta vs tors. theta energy: 0.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -21.756276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.756276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.756276 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -21.726938 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.955 flat angles P-C4'-P energy: -3.078 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: 7, replica: 7 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -20.406875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.406875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.406875 (E_RNA) where: Base-Base interactions energy: 0.585 where: short stacking energy: 0.585 Base-Backbone interact. energy: -0.002 local terms energy: -20.989152 where: bonds (distance) C4'-P energy: -4.919 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.756 flat angles P-C4'-P energy: -4.379 tors. eta vs tors. theta energy: -1.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -19.957032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.957032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.957032 (E_RNA) where: Base-Base interactions energy: -1.206 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.078 local terms energy: -18.672955 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -3.210 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: 9, replica: 4 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -19.442878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.442878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.442878 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.000 local terms energy: -19.742812 where: bonds (distance) C4'-P energy: -3.064 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.018 flat angles P-C4'-P energy: -3.792 tors. eta vs tors. theta energy: -1.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -19.751311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.751311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.751311 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.748094 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.320 flat angles P-C4'-P energy: -4.151 tors. eta vs tors. theta energy: -1.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -22.300514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.300514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.300514 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.300490 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.626 flat angles P-C4'-P energy: -2.998 tors. eta vs tors. theta energy: -3.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -20.493630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.493630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.493630 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -20.399449 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -3.372 tors. eta vs tors. theta energy: -2.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -26.626561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.626561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.626561 (E_RNA) where: Base-Base interactions energy: -3.882 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -22.741282 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -4.579 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: 4, replica: 3 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -20.062533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.062533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.062533 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.062112 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -4.078 flat angles P-C4'-P energy: -4.207 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: 5, replica: 1 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -20.902298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.902298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.902298 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.493 local terms energy: -20.409735 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.515 flat angles P-C4'-P energy: -3.973 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: 6, replica: 7 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -18.110240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.110240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.110240 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -18.018088 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.743 flat angles P-C4'-P energy: -3.160 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: 7, replica: 10 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -19.533989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.533989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.533989 (E_RNA) where: Base-Base interactions energy: -4.028 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.132 local terms energy: -15.374749 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.008 flat angles P-C4'-P energy: -3.508 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: 8, replica: 4 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -21.233170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.233170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.233170 (E_RNA) where: Base-Base interactions energy: -4.095 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.076 local terms energy: -16.062347 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -4.443 flat angles P-C4'-P energy: -3.428 tors. eta vs tors. theta energy: 1.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -20.185897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.185897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.185897 (E_RNA) where: Base-Base interactions energy: 0.325 where: short stacking energy: 0.325 Base-Backbone interact. energy: -0.570 local terms energy: -19.941146 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.469 flat angles P-C4'-P energy: -3.157 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: 10, replica: 6 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -20.846587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.846587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.846587 (E_RNA) where: Base-Base interactions energy: -4.820 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.055 local terms energy: -15.971172 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.233 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -4.061 tors. eta vs tors. theta energy: 2.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -21.005851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.005851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.005851 (E_RNA) where: Base-Base interactions energy: -4.188 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.034 local terms energy: -16.783329 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -2.956 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: 5 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -24.727456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.727456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.727456 (E_RNA) where: Base-Base interactions energy: -4.911 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.077 local terms energy: -19.739914 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -2.637 tors. eta vs tors. theta energy: -1.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -21.031329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.031329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.031329 (E_RNA) where: Base-Base interactions energy: -5.188 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -15.781966 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -3.935 flat angles P-C4'-P energy: -3.152 tors. eta vs tors. theta energy: 2.406 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: 9 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -20.390936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.390936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.390936 (E_RNA) where: Base-Base interactions energy: -1.595 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.794815 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -3.433 flat angles P-C4'-P energy: -4.560 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: 5, replica: 7 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -20.628393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.628393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.628393 (E_RNA) where: Base-Base interactions energy: 0.841 where: short stacking energy: 0.841 Base-Backbone interact. energy: -0.000 local terms energy: -21.469381 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -5.047 flat angles P-C4'-P energy: -3.933 tors. eta vs tors. theta energy: -1.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -20.669710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.669710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.669710 (E_RNA) where: Base-Base interactions energy: -4.280 where: short stacking energy: 0.668 Base-Backbone interact. energy: -0.012 local terms energy: -16.378233 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.738 flat angles P-C4'-P energy: -1.810 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: 7, replica: 4 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -20.666882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.666882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.666882 (E_RNA) where: Base-Base interactions energy: 0.053 where: short stacking energy: 0.053 Base-Backbone interact. energy: -0.102 local terms energy: -20.618560 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -4.127 tors. eta vs tors. theta energy: 0.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -19.267319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.267319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.267319 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.173 local terms energy: -19.094639 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -4.427 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: 6 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -21.480993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.480993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.480993 (E_RNA) where: Base-Base interactions energy: 1.082 where: short stacking energy: 1.082 Base-Backbone interact. energy: -0.009 local terms energy: -22.553926 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -5.397 flat angles P-C4'-P energy: -3.578 tors. eta vs tors. theta energy: -3.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -20.437899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.437899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.437899 (E_RNA) where: Base-Base interactions energy: -0.560 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -19.787285 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.008 flat angles P-C4'-P energy: -2.739 tors. eta vs tors. theta energy: -1.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -20.452389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.452389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.452389 (E_RNA) where: Base-Base interactions energy: -2.544 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.328 local terms energy: -17.580058 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -4.091 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: 2, replica: 3 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -21.955714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.955714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.955714 (E_RNA) where: Base-Base interactions energy: 0.027 where: short stacking energy: 0.027 Base-Backbone interact. energy: -0.000 local terms energy: -21.983100 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.112 flat angles P-C4'-P energy: -4.636 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: 3, replica: 5 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -20.225804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.225804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.225804 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.225800 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.726 flat angles P-C4'-P energy: -3.442 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: 4, replica: 7 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -21.427399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.427399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.427399 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.427153 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.320 flat angles P-C4'-P energy: -3.489 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: 5, replica: 9 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -20.831647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.831647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.831647 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.830295 where: bonds (distance) C4'-P energy: -3.784 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -4.971 flat angles P-C4'-P energy: -4.266 tors. eta vs tors. theta energy: -2.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -20.852300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.852300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.852300 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.078 local terms energy: -20.774394 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.675 flat angles P-C4'-P energy: -4.534 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: 7, replica: 1 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -19.616424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.616424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.616424 (E_RNA) where: Base-Base interactions energy: -2.924 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.085 local terms energy: -16.607903 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.281 flat angles P-C4'-P energy: -1.498 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: 8, replica: 6 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -18.913788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.913788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.913788 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.036 local terms energy: -18.878073 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.630 flat angles P-C4'-P energy: -4.265 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: 10 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -20.920812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.920812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.920812 (E_RNA) where: Base-Base interactions energy: -5.459 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -15.361860 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -4.423 flat angles C4'-P-C4' energy: -4.202 flat angles P-C4'-P energy: -3.439 tors. eta vs tors. theta energy: 0.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -18.896924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.896924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.896924 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.894866 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -2.919 tors. eta vs tors. theta energy: -0.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -22.261750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.261750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.261750 (E_RNA) where: Base-Base interactions energy: -2.920 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.072 local terms energy: -19.269821 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -3.307 tors. eta vs tors. theta energy: -1.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -20.521360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.521360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.521360 (E_RNA) where: Base-Base interactions energy: -0.338 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -20.162502 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.770 flat angles P-C4'-P energy: -4.569 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: 3, replica: 7 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -21.724698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.724698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.724698 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.724694 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.296 flat angles P-C4'-P energy: -3.353 tors. eta vs tors. theta energy: -3.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -21.573705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.573705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.573705 (E_RNA) where: Base-Base interactions energy: -4.814 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.153 local terms energy: -16.606435 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -1.069 flat angles P-C4'-P energy: -4.408 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: 5, replica: 4 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -23.910919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.910919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.910919 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -23.908937 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.973 flat angles P-C4'-P energy: -3.623 tors. eta vs tors. theta energy: -4.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -20.061792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.061792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.061792 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.034 local terms energy: -20.027394 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.480 flat angles P-C4'-P energy: -4.619 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: 7, replica: 6 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -19.677098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.677098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.677098 (E_RNA) where: Base-Base interactions energy: -0.225 where: short stacking energy: 0.145 Base-Backbone interact. energy: -0.008 local terms energy: -19.444217 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -5.190 flat angles P-C4'-P energy: -4.617 tors. eta vs tors. theta energy: 0.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -19.832476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.832476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.832476 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.831529 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.234 flat angles P-C4'-P energy: -4.104 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: 8 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -21.219173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.219173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.219173 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.218410 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -3.550 tors. eta vs tors. theta energy: -1.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -19.035204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.035204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.035204 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.034666 where: bonds (distance) C4'-P energy: -3.900 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -4.335 tors. eta vs tors. theta energy: 0.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -21.318794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.318794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.318794 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.106 local terms energy: -21.213163 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.382 flat angles P-C4'-P energy: -3.678 tors. eta vs tors. theta energy: -1.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -20.753240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.753240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.753240 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -20.722381 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -3.341 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: 3, replica: 2 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -21.737112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.737112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.737112 (E_RNA) where: Base-Base interactions energy: 0.130 where: short stacking energy: 0.130 Base-Backbone interact. energy: -0.000 local terms energy: -21.866661 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.255 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -3.541 tors. eta vs tors. theta energy: -3.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -22.145400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.145400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.145400 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -22.137460 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.989 flat angles P-C4'-P energy: -4.547 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: 5, replica: 5 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -22.384607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.384607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.384607 (E_RNA) where: Base-Base interactions energy: -6.702 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.206 local terms energy: -15.888554 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -2.111 flat angles P-C4'-P energy: -4.094 tors. eta vs tors. theta energy: 0.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -19.653186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.653186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.653186 (E_RNA) where: Base-Base interactions energy: 0.041 where: short stacking energy: 0.041 Base-Backbone interact. energy: -0.001 local terms energy: -19.692728 where: bonds (distance) C4'-P energy: -4.253 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.210 flat angles P-C4'-P energy: -4.284 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: 7, replica: 9 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -19.948838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.948838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.948838 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -19.919017 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.651 flat angles P-C4'-P energy: -4.140 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: 8, replica: 8 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -20.762467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.762467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.762467 (E_RNA) where: Base-Base interactions energy: -1.819 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.943236 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -2.644 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: 9, replica: 1 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -18.944730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.944730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.944730 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -18.921673 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -5.200 flat angles P-C4'-P energy: -4.675 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: 10, replica: 10 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -19.401257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.401257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.401257 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.300 Base-Backbone interact. energy: 0.210 local terms energy: -19.911277 where: bonds (distance) C4'-P energy: -4.033 bonds (distance) P-C4' energy: -4.252 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -2.370 tors. eta vs tors. theta energy: -4.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -22.810350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.810350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.810350 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.809914 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -4.335 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: 3 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -21.105006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.105006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.105006 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -1.093 local terms energy: -20.112227 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.876 flat angles P-C4'-P energy: -4.512 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: 3, replica: 4 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -20.873911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.873911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.873911 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.873276 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.631 flat angles P-C4'-P energy: -4.397 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: 2 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -21.692503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.692503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.692503 (E_RNA) where: Base-Base interactions energy: -2.753 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -18.935251 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.950 flat angles P-C4'-P energy: -4.473 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: 5, replica: 6 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -21.042696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.042696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.042696 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -21.039941 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.737 flat angles C4'-P-C4' energy: -4.770 flat angles P-C4'-P energy: -4.464 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: 6, replica: 5 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -19.979504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.979504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.979504 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.046 local terms energy: -19.933655 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.164 flat angles P-C4'-P energy: -3.713 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: 8 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -20.884733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.884733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.884733 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.881812 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.515 flat angles P-C4'-P energy: -4.089 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: 8, replica: 9 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -18.797065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.797065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.797065 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.050 local terms energy: -18.747290 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.881 flat angles P-C4'-P energy: -4.852 tors. eta vs tors. theta energy: 1.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -21.031518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.031518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.031518 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -21.023393 where: bonds (distance) C4'-P energy: -4.841 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.083 flat angles P-C4'-P energy: -4.364 tors. eta vs tors. theta energy: -0.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -18.921283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.921283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.921283 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.185 local terms energy: -18.735871 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -4.756 flat angles P-C4'-P energy: -4.561 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: 1, replica: 7 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -22.482435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.482435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.482435 (E_RNA) where: Base-Base interactions energy: -1.972 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.066 local terms energy: -20.444866 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.711 flat angles P-C4'-P energy: -4.398 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: 2, replica: 4 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -20.755113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.755113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.755113 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.755101 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.789 flat angles P-C4'-P energy: -2.963 tors. eta vs tors. theta energy: -3.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -21.871808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.871808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.871808 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -21.971764 where: bonds (distance) C4'-P energy: -3.809 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.339 flat angles P-C4'-P energy: -4.645 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: 4, replica: 2 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -21.186435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.186435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.186435 (E_RNA) where: Base-Base interactions energy: -1.775 where: short stacking energy: 0.128 Base-Backbone interact. energy: -0.098 local terms energy: -19.313175 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.484 flat angles P-C4'-P energy: -3.806 tors. eta vs tors. theta energy: -1.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -22.078111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.078111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.078111 (E_RNA) where: Base-Base interactions energy: -4.118 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.053 local terms energy: -17.907822 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: 1.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -20.411870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.411870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.411870 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.077 local terms energy: -20.334759 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.484 flat angles P-C4'-P energy: -3.526 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: 7, replica: 5 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -21.996832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.996832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.996832 (E_RNA) where: Base-Base interactions energy: -2.434 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -19.549147 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -3.852 flat angles P-C4'-P energy: -3.721 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: 9 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -19.060543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.060543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.060543 (E_RNA) where: Base-Base interactions energy: 0.033 where: short stacking energy: 0.033 Base-Backbone interact. energy: -0.000 local terms energy: -19.093439 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.435 flat angles P-C4'-P energy: -2.618 tors. eta vs tors. theta energy: -1.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -18.531729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.531729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.531729 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -18.521571 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -4.768 flat angles P-C4'-P energy: -3.973 tors. eta vs tors. theta energy: 1.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -19.488602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.488602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.488602 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -19.480160 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -3.972 tors. eta vs tors. theta energy: 0.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -21.683815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.683815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.683815 (E_RNA) where: Base-Base interactions energy: 0.024 where: short stacking energy: 0.024 Base-Backbone interact. energy: -0.000 local terms energy: -21.707821 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -3.311 tors. eta vs tors. theta energy: -2.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -21.467462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.467462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.467462 (E_RNA) where: Base-Base interactions energy: -4.843 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -16.525496 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.012 flat angles P-C4'-P energy: -2.993 tors. eta vs tors. theta energy: 2.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -20.944607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.944607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.944607 (E_RNA) where: Base-Base interactions energy: -1.297 where: short stacking energy: 0.085 Base-Backbone interact. energy: -0.040 local terms energy: -19.608420 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: -3.162 tors. eta vs tors. theta energy: -0.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -23.397451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.397451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.397451 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.397449 where: bonds (distance) C4'-P energy: -3.756 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.856 flat angles P-C4'-P energy: -4.221 tors. eta vs tors. theta energy: -4.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -22.797454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.797454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.797454 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.797347 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -4.335 tors. eta vs tors. theta energy: -2.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -20.628837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.628837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.628837 (E_RNA) where: Base-Base interactions energy: -4.306 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.149 local terms energy: -16.173764 where: bonds (distance) C4'-P energy: -4.244 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.589 flat angles P-C4'-P energy: -4.256 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: 7, replica: 9 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -21.328890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.328890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.328890 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.328043 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -4.036 tors. eta vs tors. theta energy: -1.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -20.100924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.100924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.100924 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.025 local terms energy: -20.076239 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.637 flat angles P-C4'-P energy: -3.966 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: 9, replica: 1 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -17.807625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.807625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.807625 (E_RNA) where: Base-Base interactions energy: 0.126 where: short stacking energy: 0.126 Base-Backbone interact. energy: -0.025 local terms energy: -17.908686 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.390 flat angles P-C4'-P energy: -3.952 tors. eta vs tors. theta energy: 0.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -19.997179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.997179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.997179 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.486 local terms energy: -19.511100 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.480 flat angles P-C4'-P energy: -4.028 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: 323 Temperature: 0.900000 Total energy: -22.277592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.277592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.277592 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.089 local terms energy: -22.188268 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -3.839 tors. eta vs tors. theta energy: -2.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -21.724517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.724517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.724517 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.103 local terms energy: -21.621957 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.769 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: -2.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -20.584296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.584296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.584296 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.580124 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.119 flat angles P-C4'-P energy: -3.621 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: 8 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -21.493454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.493454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.493454 (E_RNA) where: Base-Base interactions energy: -3.462 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.086 local terms energy: -17.946129 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -0.998 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: 323 Temperature: 1.100000 Total energy: -19.073327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.073327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.073327 (E_RNA) where: Base-Base interactions energy: -0.668 where: short stacking energy: 0.191 Base-Backbone interact. energy: -0.013 local terms energy: -18.392539 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -2.330 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: 6, replica: 9 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -19.481454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.481454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.481454 (E_RNA) where: Base-Base interactions energy: 0.106 where: short stacking energy: 0.106 Base-Backbone interact. energy: 0.462 local terms energy: -20.050227 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -3.987 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: 7, replica: 6 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -19.926631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.926631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.926631 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.100 local terms energy: -20.227010 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -4.227 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: 8, replica: 1 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -20.063917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.063917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.063917 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.063917 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.424 flat angles P-C4'-P energy: -3.709 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: 5 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -24.758484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.758484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.758484 (E_RNA) where: Base-Base interactions energy: -5.143 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.038 local terms energy: -19.577441 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.725 flat angles P-C4'-P energy: -4.636 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: 10, replica: 10 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -18.649018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.649018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.649018 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.118 local terms energy: -18.531358 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -4.623 flat angles P-C4'-P energy: -4.189 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: 2 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -21.390085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.390085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.390085 (E_RNA) where: Base-Base interactions energy: -4.266 where: short stacking energy: 0.763 Base-Backbone interact. energy: -0.008 local terms energy: -17.116352 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -2.990 flat angles P-C4'-P energy: -4.285 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: 2, replica: 4 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -24.200694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.200694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.200694 (E_RNA) where: Base-Base interactions energy: -4.034 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.087 local terms energy: -20.079498 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.135 flat angles P-C4'-P energy: -4.930 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: 3, replica: 8 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -24.036324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.036324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.036324 (E_RNA) where: Base-Base interactions energy: -5.518 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -18.503978 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -5.488 flat angles P-C4'-P energy: -4.378 tors. eta vs tors. theta energy: 1.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -20.650997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.650997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.650997 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.650982 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.391 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -2.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -21.623938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.623938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.623938 (E_RNA) where: Base-Base interactions energy: -5.431 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -16.170641 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.288 flat angles P-C4'-P energy: -3.573 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: 3 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -21.093585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.093585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.093585 (E_RNA) where: Base-Base interactions energy: -1.937 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.154333 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.385 flat angles P-C4'-P energy: -3.486 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: 7, replica: 6 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -19.706695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.706695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.706695 (E_RNA) where: Base-Base interactions energy: 0.218 where: short stacking energy: 0.218 Base-Backbone interact. energy: -0.027 local terms energy: -19.897676 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -2.666 tors. eta vs tors. theta energy: -2.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -20.409908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.409908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.409908 (E_RNA) where: Base-Base interactions energy: -1.134 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.276257 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -3.534 flat angles P-C4'-P energy: -1.901 tors. eta vs tors. theta energy: -3.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -20.015909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.015909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.015909 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.045 local terms energy: -19.971054 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.006 flat angles P-C4'-P energy: -4.355 tors. eta vs tors. theta energy: -1.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -20.584466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.584466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.584466 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.580410 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -4.316 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: 325 Temperature: 0.900000 Total energy: -22.188336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.188336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.188336 (E_RNA) where: Base-Base interactions energy: -4.537 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.400 local terms energy: -17.250608 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.724 flat angles P-C4'-P energy: -3.990 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: 325 Temperature: 0.950000 Total energy: -22.593343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.593343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.593343 (E_RNA) where: Base-Base interactions energy: -4.625 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -17.883913 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -3.255 flat angles P-C4'-P energy: -3.191 tors. eta vs tors. theta energy: -1.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -19.906616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.906616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.906616 (E_RNA) where: Base-Base interactions energy: -0.313 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.547 local terms energy: -19.047359 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.977 flat angles P-C4'-P energy: -4.227 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: 4, replica: 9 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -20.989467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.989467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.989467 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.989386 where: bonds (distance) C4'-P energy: -4.021 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -4.268 tors. eta vs tors. theta energy: -1.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -20.963474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.963474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.963474 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -20.952957 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.058 flat angles P-C4'-P energy: -4.054 tors. eta vs tors. theta energy: -1.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -19.134149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.134149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.134149 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.664 local terms energy: -18.470008 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -2.637 flat angles P-C4'-P energy: -3.606 tors. eta vs tors. theta energy: -1.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -20.246510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.246510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.246510 (E_RNA) where: Base-Base interactions energy: 0.309 where: short stacking energy: 0.309 Base-Backbone interact. energy: -0.791 local terms energy: -19.765246 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.640 flat angles P-C4'-P energy: -3.784 tors. eta vs tors. theta energy: -1.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -20.279294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.279294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.279294 (E_RNA) where: Base-Base interactions energy: -3.725 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.046 local terms energy: -16.508525 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -1.720 tors. eta vs tors. theta energy: 0.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -19.215287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.215287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.215287 (E_RNA) where: Base-Base interactions energy: -2.295 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.253 local terms energy: -16.667859 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -3.866 flat angles P-C4'-P energy: -4.392 tors. eta vs tors. theta energy: 2.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -19.600679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.600679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.600679 (E_RNA) where: Base-Base interactions energy: -7.023 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -12.481614 where: bonds (distance) C4'-P energy: -3.524 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -3.281 flat angles P-C4'-P energy: -2.958 tors. eta vs tors. theta energy: 3.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -22.201877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.201877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.201877 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -22.180808 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.643 flat angles P-C4'-P energy: -4.645 tors. eta vs tors. theta energy: -2.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -20.622131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.622131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.622131 (E_RNA) where: Base-Base interactions energy: -3.322 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.047 local terms energy: -17.252518 where: bonds (distance) C4'-P energy: -3.382 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -4.258 tors. eta vs tors. theta energy: 1.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -20.687698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.687698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.687698 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 1.207 local terms energy: -21.894882 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.264 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: -2.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -20.239038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.239038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.239038 (E_RNA) where: Base-Base interactions energy: -1.752 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.116 local terms energy: -18.371003 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.147 flat angles P-C4'-P energy: -4.542 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: 5, replica: 6 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -20.099348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.099348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.099348 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.089 local terms energy: -19.009855 where: bonds (distance) C4'-P energy: -3.598 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.461 flat angles P-C4'-P energy: -2.311 tors. eta vs tors. theta energy: -3.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -21.902409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.902409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.902409 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -21.891623 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.718 flat angles P-C4'-P energy: -4.464 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: 7, replica: 10 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -20.314670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.314670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.314670 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.314393 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.740 flat angles P-C4'-P energy: -4.752 tors. eta vs tors. theta energy: 0.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -19.552083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.552083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.552083 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -19.454911 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -3.960 flat angles P-C4'-P energy: -4.271 tors. eta vs tors. theta energy: -0.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -20.087602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.087602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.087602 (E_RNA) where: Base-Base interactions energy: -3.329 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.680 local terms energy: -16.077933 where: bonds (distance) C4'-P energy: -3.871 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.029 flat angles P-C4'-P energy: -4.401 tors. eta vs tors. theta energy: 1.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -20.050009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.050009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.050009 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.049894 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -4.408 tors. eta vs tors. theta energy: 0.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -20.700401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.700401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.700401 (E_RNA) where: Base-Base interactions energy: -4.416 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.183 local terms energy: -16.101572 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -4.786 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -3.561 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: 2, replica: 9 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -25.182516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.182516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.182516 (E_RNA) where: Base-Base interactions energy: -5.664 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.055 local terms energy: -19.464031 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.403 flat angles P-C4'-P energy: -4.378 tors. eta vs tors. theta energy: -0.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -23.949506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.949506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.949506 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.949505 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -4.692 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: 4, replica: 6 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -20.823984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.823984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.823984 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.823879 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: -1.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -20.933321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.933321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.933321 (E_RNA) where: Base-Base interactions energy: -4.450 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.450 local terms energy: -16.032816 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.143 flat angles P-C4'-P energy: -4.479 tors. eta vs tors. theta energy: 2.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -20.017758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.017758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.017758 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.053 local terms energy: -19.964848 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -5.488 flat angles P-C4'-P energy: -3.634 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: 7, replica: 7 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -19.484734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.484734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.484734 (E_RNA) where: Base-Base interactions energy: -4.841 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.110 local terms energy: -14.534266 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -3.558 flat angles P-C4'-P energy: -4.334 tors. eta vs tors. theta energy: 3.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -19.574597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.574597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.574597 (E_RNA) where: Base-Base interactions energy: -2.247 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -17.326940 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -4.446 flat angles P-C4'-P energy: -1.946 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: 9, replica: 3 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -17.966316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.966316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.966316 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.182 local terms energy: -17.784276 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -4.357 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -4.572 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: 1 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -19.286592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.286592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.286592 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.285835 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -5.328 flat angles P-C4'-P energy: -3.386 tors. eta vs tors. theta energy: -0.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -21.315870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.315870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.315870 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.315819 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.624 flat angles P-C4'-P energy: -4.562 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: 2, replica: 8 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -21.245452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.245452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.245452 (E_RNA) where: Base-Base interactions energy: -2.753 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -18.433813 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.235 flat angles P-C4'-P energy: -4.393 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: 3, replica: 6 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -21.532164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.532164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.532164 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.532164 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.526 flat angles P-C4'-P energy: -3.918 tors. eta vs tors. theta energy: -3.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -20.827379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.827379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.827379 (E_RNA) where: Base-Base interactions energy: -3.155 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.190 local terms energy: -17.482712 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.283 flat angles C4'-P-C4' energy: -5.516 flat angles P-C4'-P energy: -1.443 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: 5, replica: 10 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -20.712091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.712091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.712091 (E_RNA) where: Base-Base interactions energy: -1.292 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -19.396908 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.329 flat angles P-C4'-P energy: -3.847 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: 6, replica: 4 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -19.796299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.796299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.796299 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.794 local terms energy: -19.001901 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.586 flat angles P-C4'-P energy: -4.408 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: 7, replica: 5 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -20.136138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.136138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.136138 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.105 local terms energy: -20.031557 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -4.089 flat angles P-C4'-P energy: -4.418 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: 8, replica: 7 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -19.652474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.652474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.652474 (E_RNA) where: Base-Base interactions energy: -2.421 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.051 local terms energy: -17.282814 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -1.764 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: 1 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -19.514395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.514395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.514395 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.475 local terms energy: -19.039590 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -4.203 flat angles P-C4'-P energy: -4.465 tors. eta vs tors. theta energy: -0.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -19.257467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.257467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.257467 (E_RNA) where: Base-Base interactions energy: -5.705 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -13.452048 where: bonds (distance) C4'-P energy: -2.381 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.075 flat angles P-C4'-P energy: -1.857 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: 1, replica: 9 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -21.591642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.591642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.591642 (E_RNA) where: Base-Base interactions energy: 0.024 where: short stacking energy: 0.024 Base-Backbone interact. energy: -0.001 local terms energy: -21.614923 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.838 flat angles P-C4'-P energy: -4.350 tors. eta vs tors. theta energy: -2.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -20.504515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.504515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.504515 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.504463 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.314 flat angles P-C4'-P energy: -3.126 tors. eta vs tors. theta energy: -3.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -24.768941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.768941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.768941 (E_RNA) where: Base-Base interactions energy: -5.601 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -19.150731 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.661 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: 0.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -21.757191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.757191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.757191 (E_RNA) where: Base-Base interactions energy: -4.126 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.291 local terms energy: -17.340733 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.598 flat angles P-C4'-P energy: -2.706 tors. eta vs tors. theta energy: 1.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -19.558906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.558906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.558906 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.112 local terms energy: -19.446610 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -5.362 flat angles P-C4'-P energy: -3.988 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: 6, replica: 5 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -20.627467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.627467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.627467 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.627237 where: bonds (distance) C4'-P energy: -3.395 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.794 flat angles P-C4'-P energy: -3.982 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: 4 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -22.957449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.957449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.957449 (E_RNA) where: Base-Base interactions energy: -3.149 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -19.793855 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -4.623 flat angles P-C4'-P energy: -3.047 tors. eta vs tors. theta energy: -0.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -18.712514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.712514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.712514 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.712216 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.446 flat angles P-C4'-P energy: -3.528 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: 329 Temperature: 1.300000 Total energy: -20.353867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.353867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.353867 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -20.325890 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.038 flat angles P-C4'-P energy: -3.404 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: 10, replica: 3 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -19.315518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.315518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.315518 (E_RNA) where: Base-Base interactions energy: -4.995 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -14.297385 where: bonds (distance) C4'-P energy: -4.161 bonds (distance) P-C4' energy: -4.614 flat angles C4'-P-C4' energy: -2.488 flat angles P-C4'-P energy: -3.612 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: 1, replica: 9 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -22.653273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.653273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.653273 (E_RNA) where: Base-Base interactions energy: -4.925 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -17.697089 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.588 flat angles P-C4'-P energy: -4.270 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: 6 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -20.233877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.233877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.233877 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -20.212790 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -4.202 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: 3, replica: 10 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -21.194649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.194649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.194649 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.193984 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.532 flat angles P-C4'-P energy: -4.366 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: 4, replica: 8 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -23.785337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.785337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.785337 (E_RNA) where: Base-Base interactions energy: -3.171 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.017 local terms energy: -20.597056 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -3.274 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: 5 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -21.371761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.371761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.371761 (E_RNA) where: Base-Base interactions energy: 1.337 where: short stacking energy: 1.337 Base-Backbone interact. energy: -0.000 local terms energy: -22.708773 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.982 flat angles P-C4'-P energy: -3.819 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: 6, replica: 2 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -20.308253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.308253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.308253 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.308206 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.181 flat angles P-C4'-P energy: -2.777 tors. eta vs tors. theta energy: -2.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -20.333825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.333825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.333825 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.233 local terms energy: -20.100414 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -5.196 flat angles P-C4'-P energy: -4.088 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: 8, replica: 4 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -18.650374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.650374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.650374 (E_RNA) where: Base-Base interactions energy: 0.346 where: short stacking energy: 0.346 Base-Backbone interact. energy: -0.006 local terms energy: -18.990306 where: bonds (distance) C4'-P energy: -4.137 bonds (distance) P-C4' energy: -4.672 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -3.896 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: 9, replica: 3 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -20.530781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.530781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.530781 (E_RNA) where: Base-Base interactions energy: -4.120 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.060 local terms energy: -16.350216 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.843 flat angles P-C4'-P energy: -3.062 tors. eta vs tors. theta energy: 1.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -19.097797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.097797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.097797 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.097697 where: bonds (distance) C4'-P energy: -3.027 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.936 flat angles P-C4'-P energy: -3.673 tors. eta vs tors. theta energy: -1.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -20.403829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.403829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.403829 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.402669 where: bonds (distance) C4'-P energy: -4.281 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.867 flat angles P-C4'-P energy: -3.409 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: 2, replica: 10 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -20.645629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.645629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.645629 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.644596 where: bonds (distance) C4'-P energy: -3.552 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.697 flat angles P-C4'-P energy: -3.943 tors. eta vs tors. theta energy: -2.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -20.823226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.823226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.823226 (E_RNA) where: Base-Base interactions energy: 0.744 where: short stacking energy: 0.744 Base-Backbone interact. energy: -0.092 local terms energy: -21.474687 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -4.583 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: 5 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -20.731592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.731592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.731592 (E_RNA) where: Base-Base interactions energy: -4.196 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.182 local terms energy: -16.353404 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -4.538 flat angles C4'-P-C4' energy: -4.499 flat angles P-C4'-P energy: -3.197 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: 5, replica: 8 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -20.602020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.602020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.602020 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -20.535141 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -4.870 flat angles P-C4'-P energy: -4.189 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: 6, replica: 1 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -20.436969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.436969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.436969 (E_RNA) where: Base-Base interactions energy: -4.128 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.257 local terms energy: -16.052824 where: bonds (distance) C4'-P energy: -3.669 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -4.822 flat angles P-C4'-P energy: -4.362 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: 7, replica: 2 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -20.297619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.297619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.297619 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.684 local terms energy: -19.613497 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.405 flat angles P-C4'-P energy: -4.232 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: 331 Temperature: 1.250000 Total energy: -20.352475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.352475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.352475 (E_RNA) where: Base-Base interactions energy: -3.832 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.073 local terms energy: -16.447114 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.523 flat angles P-C4'-P energy: -4.429 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: 4 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -19.858253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.858253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.858253 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.857703 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.793 flat angles P-C4'-P energy: -3.904 tors. eta vs tors. theta energy: -0.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -21.764557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.764557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.764557 (E_RNA) where: Base-Base interactions energy: -3.359 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.026 local terms energy: -18.379643 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -2.797 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: 1, replica: 10 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -20.667150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.667150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.667150 (E_RNA) where: Base-Base interactions energy: -2.267 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.400200 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.397 flat angles P-C4'-P energy: -3.818 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: 2, replica: 9 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -23.895855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.895855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.895855 (E_RNA) where: Base-Base interactions energy: -5.511 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.382560 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.013 flat angles P-C4'-P energy: -4.553 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: 3, replica: 6 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -22.037926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.037926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.037926 (E_RNA) where: Base-Base interactions energy: -4.289 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -17.732176 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -4.544 flat angles C4'-P-C4' energy: -4.974 flat angles P-C4'-P energy: -3.788 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: 4, replica: 5 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -22.310021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.310021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.310021 (E_RNA) where: Base-Base interactions energy: -3.452 where: short stacking energy: 0.221 Base-Backbone interact. energy: -0.038 local terms energy: -18.820203 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.356 flat angles P-C4'-P energy: -2.623 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: 5, replica: 1 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -19.645562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.645562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.645562 (E_RNA) where: Base-Base interactions energy: 0.951 where: short stacking energy: 0.951 Base-Backbone interact. energy: -0.040 local terms energy: -20.556542 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.237 flat angles P-C4'-P energy: -4.893 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: 6, replica: 8 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -18.673503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.673503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.673503 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.772 local terms energy: -17.901396 where: bonds (distance) C4'-P energy: -3.304 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.323 flat angles P-C4'-P energy: -3.302 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: 7, replica: 3 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -18.785344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.785344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.785344 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -18.777067 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.254 flat angles P-C4'-P energy: -3.772 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: 8, replica: 2 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -20.098048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.098048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.098048 (E_RNA) where: Base-Base interactions energy: 0.423 where: short stacking energy: 0.423 Base-Backbone interact. energy: -0.000 local terms energy: -20.521285 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.043 flat angles P-C4'-P energy: -3.727 tors. eta vs tors. theta energy: -0.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -21.462144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.462144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.462144 (E_RNA) where: Base-Base interactions energy: -1.320 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.522 local terms energy: -19.619405 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.318 flat angles P-C4'-P energy: -2.618 tors. eta vs tors. theta energy: -1.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -18.997813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.997813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.997813 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.000 local terms energy: -19.197780 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -3.427 flat angles P-C4'-P energy: -2.897 tors. eta vs tors. theta energy: -2.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -21.332521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.332521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.332521 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.332429 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -4.796 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -3.963 tors. eta vs tors. theta energy: -3.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -20.747249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.747249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.747249 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -20.729039 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.620 flat angles P-C4'-P energy: -3.744 tors. eta vs tors. theta energy: -1.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -20.374667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.374667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.374667 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.131 local terms energy: -20.243525 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.619 flat angles P-C4'-P energy: -4.807 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: 333 Temperature: 1.050000 Total energy: -21.057635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.057635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.057635 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.055952 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -5.022 flat angles P-C4'-P energy: -3.790 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: 5 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -21.100613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.100613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.100613 (E_RNA) where: Base-Base interactions energy: -3.610 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -17.462210 where: bonds (distance) C4'-P energy: -3.876 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -4.125 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: 3 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -20.022796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.022796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.022796 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.022778 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.515 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: -0.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -20.466410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.466410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.466410 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.466365 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.010 flat angles P-C4'-P energy: -3.014 tors. eta vs tors. theta energy: -1.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -20.394760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.394760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.394760 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -20.390056 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.220 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: 0.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -20.342171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.342171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.342171 (E_RNA) where: Base-Base interactions energy: 0.900 where: short stacking energy: 0.900 Base-Backbone interact. energy: -0.102 local terms energy: -21.140095 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -3.268 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: 10, replica: 4 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -20.606375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.606375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.606375 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -20.599505 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.736 flat angles P-C4'-P energy: -4.002 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: 1, replica: 10 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -21.481837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.481837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.481837 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.480979 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.944 flat angles P-C4'-P energy: -2.975 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: 6 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -21.720389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.720389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.720389 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.155 local terms energy: -21.565291 where: bonds (distance) C4'-P energy: -4.145 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.574 flat angles P-C4'-P energy: -4.275 tors. eta vs tors. theta energy: -1.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -21.007115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.007115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.007115 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -20.916928 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.590 flat angles P-C4'-P energy: -4.097 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: 4, replica: 9 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -20.546448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.546448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.546448 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.546360 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.158 flat angles P-C4'-P energy: -4.472 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: 3 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -20.479883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.479883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.479883 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.106 local terms energy: -20.373811 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -5.476 flat angles P-C4'-P energy: -4.664 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: 6, replica: 5 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -20.640384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.640384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.640384 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -20.618823 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -4.324 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: 7, replica: 2 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -20.869339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.869339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.869339 (E_RNA) where: Base-Base interactions energy: 0.250 where: short stacking energy: 0.250 Base-Backbone interact. energy: -0.050 local terms energy: -21.069124 where: bonds (distance) C4'-P energy: -3.305 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.722 flat angles P-C4'-P energy: -3.556 tors. eta vs tors. theta energy: -3.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -20.780932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.780932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.780932 (E_RNA) where: Base-Base interactions energy: 0.208 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.983130 where: bonds (distance) C4'-P energy: -3.884 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -4.339 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: 4 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -18.730256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.730256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.730256 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.730113 where: bonds (distance) C4'-P energy: -3.454 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.728 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -1.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -20.195488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.195488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.195488 (E_RNA) where: Base-Base interactions energy: -2.625 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.073 local terms energy: -17.497614 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.807 flat angles P-C4'-P energy: -2.373 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: 10 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -23.898801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.898801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.898801 (E_RNA) where: Base-Base interactions energy: 0.093 where: short stacking energy: 0.093 Base-Backbone interact. energy: -0.000 local terms energy: -23.991519 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -4.335 tors. eta vs tors. theta energy: -3.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -21.523994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.523994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.523994 (E_RNA) where: Base-Base interactions energy: 0.800 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.203 local terms energy: -22.120753 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.534 flat angles P-C4'-P energy: -3.854 tors. eta vs tors. theta energy: -1.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -22.848734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.848734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.848734 (E_RNA) where: Base-Base interactions energy: -3.688 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.651 local terms energy: -18.510036 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.517 flat angles P-C4'-P energy: -3.017 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: 4, replica: 3 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -20.497927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.497927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.497927 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.307 local terms energy: -20.191271 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -3.832 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: 5, replica: 9 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -19.358991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.358991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.358991 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -19.343003 where: bonds (distance) C4'-P energy: -3.359 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.755 flat angles P-C4'-P energy: -3.488 tors. eta vs tors. theta energy: -1.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -19.820860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.820860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.820860 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.049 local terms energy: -19.772064 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.846 flat angles P-C4'-P energy: -4.419 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: 7, replica: 5 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -19.767119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.767119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.767119 (E_RNA) where: Base-Base interactions energy: 0.328 where: short stacking energy: 0.328 Base-Backbone interact. energy: -0.000 local terms energy: -20.095266 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.619 flat angles P-C4'-P energy: -3.810 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: 8, replica: 4 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -19.001352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.001352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.001352 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.999483 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.086 flat angles P-C4'-P energy: -2.946 tors. eta vs tors. theta energy: -1.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -19.408234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.408234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.408234 (E_RNA) where: Base-Base interactions energy: -0.536 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.058 local terms energy: -17.814738 where: bonds (distance) C4'-P energy: -5.097 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -2.796 flat angles P-C4'-P energy: -4.323 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: 10, replica: 7 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -20.384893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.384893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.384893 (E_RNA) where: Base-Base interactions energy: -1.724 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -18.651597 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -4.213 tors. eta vs tors. theta energy: 1.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -22.045851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.045851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.045851 (E_RNA) where: Base-Base interactions energy: -0.702 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.268 local terms energy: -21.075819 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.522 flat angles P-C4'-P energy: -4.542 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: 336 Temperature: 0.950000 Total energy: -21.403537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.403537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.403537 (E_RNA) where: Base-Base interactions energy: -1.636 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.765421 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -3.308 tors. eta vs tors. theta energy: -1.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -21.611892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.611892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.611892 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.611881 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: -0.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -20.394451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.394451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.394451 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.393112 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -4.407 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: 5, replica: 9 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -19.961385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.961385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.961385 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -19.934069 where: bonds (distance) C4'-P energy: -4.253 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: -0.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -19.502657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.502657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.502657 (E_RNA) where: Base-Base interactions energy: -0.904 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -18.572283 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -2.529 tors. eta vs tors. theta energy: -1.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -20.637265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.637265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.637265 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.637176 where: bonds (distance) C4'-P energy: -3.826 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.021 flat angles P-C4'-P energy: -2.901 tors. eta vs tors. theta energy: -3.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -24.179754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.179754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.179754 (E_RNA) where: Base-Base interactions energy: -4.805 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -19.363295 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -2.332 tors. eta vs tors. theta energy: 0.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -20.169320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.169320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.169320 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.169317 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.356 flat angles P-C4'-P energy: -3.562 tors. eta vs tors. theta energy: -1.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -19.326264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.326264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.326264 (E_RNA) where: Base-Base interactions energy: -0.554 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -18.677679 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.907 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: 2.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -21.501197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.501197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.501197 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.501194 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.337 flat angles P-C4'-P energy: -4.569 tors. eta vs tors. theta energy: -2.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -22.418163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.418163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.418163 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -22.414975 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -4.328 tors. eta vs tors. theta energy: -1.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -20.430903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.430903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.430903 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.175 local terms energy: -20.255674 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -3.205 tors. eta vs tors. theta energy: -0.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -19.459185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.459185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.459185 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.064 local terms energy: -19.395073 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.827 flat angles P-C4'-P energy: -3.257 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: 5, replica: 6 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -21.678786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.678786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.678786 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.677615 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.011 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -1.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -20.760536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.760536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.760536 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -20.734033 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -4.219 tors. eta vs tors. theta energy: -0.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -19.976722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.976722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.976722 (E_RNA) where: Base-Base interactions energy: 0.044 where: short stacking energy: 0.044 Base-Backbone interact. energy: -0.000 local terms energy: -20.020989 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.109 flat angles P-C4'-P energy: -4.129 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: 8, replica: 7 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -20.857274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.857274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.857274 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.855523 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.217 flat angles P-C4'-P energy: -4.328 tors. eta vs tors. theta energy: -1.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -19.737810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.737810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.737810 (E_RNA) where: Base-Base interactions energy: -1.260 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.076 local terms energy: -18.402486 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.657 flat angles P-C4'-P energy: -3.100 tors. eta vs tors. theta energy: -0.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -19.665758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.665758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.665758 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.002 local terms energy: -19.863913 where: bonds (distance) C4'-P energy: -3.906 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.021 flat angles P-C4'-P energy: -3.400 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: 1, replica: 1 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -21.122541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.122541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.122541 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -21.119699 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.242 flat angles P-C4'-P energy: -4.276 tors. eta vs tors. theta energy: -1.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -21.627394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.627394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.627394 (E_RNA) where: Base-Base interactions energy: -3.286 where: short stacking energy: 1.445 Base-Backbone interact. energy: -0.085 local terms energy: -18.256106 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -3.180 flat angles P-C4'-P energy: -3.832 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: 3, replica: 9 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -19.855577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.855577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.855577 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -19.848137 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.087 flat angles P-C4'-P energy: -4.609 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: 4, replica: 10 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -21.393679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.393679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.393679 (E_RNA) where: Base-Base interactions energy: -5.464 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.104 local terms energy: -15.825547 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -2.048 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: 5, replica: 4 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -20.441441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.441441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.441441 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.441415 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.048 flat angles P-C4'-P energy: -3.379 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: 6 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -21.561820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.561820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.561820 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.561460 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.288 flat angles P-C4'-P energy: -4.312 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: 7, replica: 7 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -20.396796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.396796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.396796 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -20.391502 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: -2.529 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: 8, replica: 2 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -19.211157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.211157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.211157 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.123 local terms energy: -19.088655 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.540 flat angles P-C4'-P energy: -3.813 tors. eta vs tors. theta energy: 0.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -19.131524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.131524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.131524 (E_RNA) where: Base-Base interactions energy: -1.751 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.527 local terms energy: -16.852984 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.127 flat angles P-C4'-P energy: -2.111 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: 5 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -19.410865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.410865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.410865 (E_RNA) where: Base-Base interactions energy: -0.741 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -18.574580 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -4.138 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: 1 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -21.561091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.561091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.561091 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -21.549837 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -4.037 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: 2, replica: 9 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -21.290621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.290621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.290621 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.290621 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -4.121 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: 3, replica: 3 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -22.566081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.566081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.566081 (E_RNA) where: Base-Base interactions energy: -4.761 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.162 local terms energy: -17.643943 where: bonds (distance) C4'-P energy: -4.191 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.622 flat angles P-C4'-P energy: -3.884 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: 4, replica: 4 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -19.808036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.808036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.808036 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -19.717260 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -2.560 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: 10 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -19.933363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.933363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.933363 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -19.922777 where: bonds (distance) C4'-P energy: -3.784 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.770 flat angles P-C4'-P energy: -2.800 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: 7 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -21.329864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.329864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.329864 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.329725 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.020 flat angles P-C4'-P energy: -4.575 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: 7, replica: 6 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -19.919147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.919147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.919147 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.074 local terms energy: -19.845436 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.149 flat angles P-C4'-P energy: -2.380 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: 8, replica: 8 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -21.016928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.016928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.016928 (E_RNA) where: Base-Base interactions energy: 1.100 where: short stacking energy: 1.100 Base-Backbone interact. energy: -0.000 local terms energy: -22.116911 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -3.890 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -3.636 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: 9, replica: 2 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -19.801875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.801875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.801875 (E_RNA) where: Base-Base interactions energy: -1.131 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.078 local terms energy: -18.749001 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.157 flat angles P-C4'-P energy: -3.197 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: 5 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -17.443756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.443756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.443756 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.157 local terms energy: -17.286776 where: bonds (distance) C4'-P energy: -3.528 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.443 flat angles P-C4'-P energy: -2.995 tors. eta vs tors. theta energy: -0.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -21.224407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.224407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.224407 (E_RNA) where: Base-Base interactions energy: 0.435 where: short stacking energy: 0.435 Base-Backbone interact. energy: -0.000 local terms energy: -21.659247 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.138 flat angles P-C4'-P energy: -3.677 tors. eta vs tors. theta energy: -2.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -23.356930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.356930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.356930 (E_RNA) where: Base-Base interactions energy: -4.933 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.069 local terms energy: -18.354737 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.977 flat angles P-C4'-P energy: -3.413 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: 4 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -22.204636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.204636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.204636 (E_RNA) where: Base-Base interactions energy: -2.988 where: short stacking energy: 0.574 Base-Backbone interact. energy: -0.001 local terms energy: -19.216311 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: -1.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -22.429557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.429557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.429557 (E_RNA) where: Base-Base interactions energy: -2.301 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.047 local terms energy: -20.081141 where: bonds (distance) C4'-P energy: -3.917 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.776 flat angles P-C4'-P energy: -3.706 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: 5, replica: 7 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -22.260890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.260890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.260890 (E_RNA) where: Base-Base interactions energy: -5.543 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -16.621136 where: bonds (distance) C4'-P energy: -3.607 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -3.051 tors. eta vs tors. theta energy: 0.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -19.134414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.134414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.134414 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.043 local terms energy: -19.090937 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.772 flat angles P-C4'-P energy: -3.618 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: 7, replica: 8 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -19.303202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.303202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.303202 (E_RNA) where: Base-Base interactions energy: -4.056 where: short stacking energy: 0.088 Base-Backbone interact. energy: -0.004 local terms energy: -15.243683 where: bonds (distance) C4'-P energy: -3.242 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -0.626 tors. eta vs tors. theta energy: -0.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -19.549758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.549758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.549758 (E_RNA) where: Base-Base interactions energy: 0.315 where: short stacking energy: 0.315 Base-Backbone interact. energy: -0.039 local terms energy: -19.825637 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.191 flat angles P-C4'-P energy: -3.818 tors. eta vs tors. theta energy: -0.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -19.724942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.724942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.724942 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.724934 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -3.995 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: 10, replica: 5 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -18.874692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.874692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.874692 (E_RNA) where: Base-Base interactions energy: 0.004 where: short stacking energy: 0.004 Base-Backbone interact. energy: -0.005 local terms energy: -18.873839 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.697 flat angles P-C4'-P energy: -4.264 tors. eta vs tors. theta energy: 1.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -21.950198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.950198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.950198 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.047 local terms energy: -21.903110 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.679 flat angles P-C4'-P energy: -4.361 tors. eta vs tors. theta energy: -2.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -23.628400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.628400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.628400 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -23.619242 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.278 flat angles P-C4'-P energy: -4.431 tors. eta vs tors. theta energy: -3.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -21.798848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.798848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.798848 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -21.698988 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.420 flat angles P-C4'-P energy: -4.716 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: 3 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -19.836316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.836316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.836316 (E_RNA) where: Base-Base interactions energy: -1.940 where: short stacking energy: 0.160 Base-Backbone interact. energy: -0.210 local terms energy: -17.685932 where: bonds (distance) C4'-P energy: -3.739 bonds (distance) P-C4' energy: -4.381 flat angles C4'-P-C4' energy: -5.041 flat angles P-C4'-P energy: -2.200 tors. eta vs tors. theta energy: -2.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -22.138759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.138759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.138759 (E_RNA) where: Base-Base interactions energy: -5.084 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.137 local terms energy: -16.918396 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.273 flat angles P-C4'-P energy: -4.801 tors. eta vs tors. theta energy: 3.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -21.274648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.274648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.274648 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.274604 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -2.545 tors. eta vs tors. theta energy: -2.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -19.503991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.503991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.503991 (E_RNA) where: Base-Base interactions energy: 0.389 where: short stacking energy: 0.389 Base-Backbone interact. energy: -0.000 local terms energy: -19.893412 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -2.618 flat angles P-C4'-P energy: -4.514 tors. eta vs tors. theta energy: -2.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -19.954239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.954239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.954239 (E_RNA) where: Base-Base interactions energy: -0.580 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -19.290737 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.160 flat angles C4'-P-C4' energy: -4.590 flat angles P-C4'-P energy: -4.886 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: 9, replica: 6 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -20.812780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.812780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.812780 (E_RNA) where: Base-Base interactions energy: -0.819 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.992214 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.587 flat angles P-C4'-P energy: -4.343 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: 5 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -19.116956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.116956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.116956 (E_RNA) where: Base-Base interactions energy: -0.038 where: short stacking energy: 0.101 Base-Backbone interact. energy: -0.000 local terms energy: -19.079028 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -5.062 flat angles P-C4'-P energy: -3.053 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: 1, replica: 9 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -21.847924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.847924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.847924 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.847601 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -4.237 flat angles P-C4'-P energy: -4.853 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: 2, replica: 4 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -23.232498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.232498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.232498 (E_RNA) where: Base-Base interactions energy: -1.991 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.241980 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -5.097 flat angles P-C4'-P energy: -3.952 tors. eta vs tors. theta energy: -3.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -21.028560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.028560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.028560 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.028549 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -4.463 flat angles P-C4'-P energy: -3.841 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: 4, replica: 1 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -21.480456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.480456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.480456 (E_RNA) where: Base-Base interactions energy: -4.318 where: short stacking energy: 0.582 Base-Backbone interact. energy: -0.899 local terms energy: -16.263776 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.212 flat angles C4'-P-C4' energy: -4.777 flat angles P-C4'-P energy: -2.299 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: 8 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -20.649336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.649336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.649336 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.649253 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -4.021 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: 7 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -20.951778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.951778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.951778 (E_RNA) where: Base-Base interactions energy: -5.940 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -14.984795 where: bonds (distance) C4'-P energy: -3.835 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.974 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: 3.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -20.017945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.017945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.017945 (E_RNA) where: Base-Base interactions energy: -1.379 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.053 local terms energy: -18.586056 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.006 flat angles P-C4'-P energy: -2.452 tors. eta vs tors. theta energy: -0.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -19.749684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.749684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.749684 (E_RNA) where: Base-Base interactions energy: -3.943 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.076 local terms energy: -15.730506 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -3.607 flat angles P-C4'-P energy: -4.430 tors. eta vs tors. theta energy: 1.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -19.030479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.030479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.030479 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.030285 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -5.115 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: -0.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -18.519865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.519865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.519865 (E_RNA) where: Base-Base interactions energy: 0.864 where: short stacking energy: 0.864 Base-Backbone interact. energy: -0.000 local terms energy: -19.384237 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -2.362 flat angles P-C4'-P energy: -3.432 tors. eta vs tors. theta energy: -2.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -21.033042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.033042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.033042 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.033031 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -4.560 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: 2, replica: 3 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -20.730761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.730761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.730761 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.907 local terms energy: -19.823538 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.774 flat angles P-C4'-P energy: -3.726 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: 3, replica: 4 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -21.644810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.644810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.644810 (E_RNA) where: Base-Base interactions energy: -5.256 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -16.373942 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -5.043 flat angles P-C4'-P energy: -2.424 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: 4, replica: 1 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -20.629414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.629414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.629414 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.628190 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.048 flat angles P-C4'-P energy: -3.598 tors. eta vs tors. theta energy: -0.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -19.095940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.095940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.095940 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.027 local terms energy: -19.469152 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.193 flat angles P-C4'-P energy: -4.241 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: 6, replica: 2 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -20.492535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.492535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.492535 (E_RNA) where: Base-Base interactions energy: -5.650 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.271 local terms energy: -14.571787 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.733 flat angles P-C4'-P energy: -2.419 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: 7, replica: 7 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -20.681880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.681880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.681880 (E_RNA) where: Base-Base interactions energy: 0.561 where: short stacking energy: 0.561 Base-Backbone interact. energy: -0.001 local terms energy: -21.242195 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.206 flat angles C4'-P-C4' energy: -2.865 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -3.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -20.247812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.247812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.247812 (E_RNA) where: Base-Base interactions energy: -3.151 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.062 local terms energy: -17.034945 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.421 flat angles P-C4'-P energy: -3.604 tors. eta vs tors. theta energy: 2.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -19.664823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.664823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.664823 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.664821 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: -2.774 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: 10, replica: 6 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -17.667566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.667566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.667566 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.072 local terms energy: -17.595239 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.380 flat angles P-C4'-P energy: -2.946 tors. eta vs tors. theta energy: 0.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -22.723735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.723735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.723735 (E_RNA) where: Base-Base interactions energy: -3.197 where: short stacking energy: 0.049 Base-Backbone interact. energy: -0.038 local terms energy: -19.489032 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -3.257 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: 2, replica: 9 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -21.321397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.321397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.321397 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.043 local terms energy: -21.278538 where: bonds (distance) C4'-P energy: -3.839 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.185 flat angles P-C4'-P energy: -4.394 tors. eta vs tors. theta energy: -2.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -21.526213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.526213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.526213 (E_RNA) where: Base-Base interactions energy: -4.054 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.105 local terms energy: -17.366880 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.263 flat angles P-C4'-P energy: -3.104 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: 4, replica: 4 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -21.908450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.908450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.908450 (E_RNA) where: Base-Base interactions energy: -3.355 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.162 local terms energy: -18.392159 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.243 flat angles P-C4'-P energy: -3.708 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: 5, replica: 2 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -21.227693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.227693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.227693 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -21.219864 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -2.953 tors. eta vs tors. theta energy: -1.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -21.794573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.794573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.794573 (E_RNA) where: Base-Base interactions energy: -5.810 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.225 local terms energy: -15.758793 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.227 flat angles P-C4'-P energy: -1.998 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: 7, replica: 5 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -18.696385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.696385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.696385 (E_RNA) where: Base-Base interactions energy: -0.572 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.543 local terms energy: -17.581209 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.221 flat angles P-C4'-P energy: -4.838 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: 7 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -21.768207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.768207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.768207 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.332 local terms energy: -21.435937 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -3.155 flat angles P-C4'-P energy: -4.912 tors. eta vs tors. theta energy: -3.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -18.848370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.848370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.848370 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.089 local terms energy: -18.759402 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.292 flat angles P-C4'-P energy: -2.713 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: 10, replica: 10 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -18.657219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.657219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.657219 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.056 local terms energy: -18.601683 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.202 flat angles P-C4'-P energy: -2.461 tors. eta vs tors. theta energy: -1.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -21.968041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.968041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.968041 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.967957 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.370 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: -1.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -22.742275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.742275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.742275 (E_RNA) where: Base-Base interactions energy: -2.637 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.004 local terms energy: -20.101244 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.105 flat angles P-C4'-P energy: -3.811 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: 3, replica: 9 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -21.852742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.852742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.852742 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.852680 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -4.293 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: 4, replica: 2 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -20.103982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.103982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.103982 (E_RNA) where: Base-Base interactions energy: 0.006 where: short stacking energy: 0.006 Base-Backbone interact. energy: -0.000 local terms energy: -20.109677 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -2.355 tors. eta vs tors. theta energy: -1.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -22.106993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.106993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.106993 (E_RNA) where: Base-Base interactions energy: -2.935 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.230 local terms energy: -18.942848 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.050 flat angles P-C4'-P energy: -3.924 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: 6, replica: 5 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -20.634054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.634054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.634054 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -20.544379 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.063 flat angles P-C4'-P energy: -3.134 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: 7, replica: 8 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -19.220269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.220269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.220269 (E_RNA) where: Base-Base interactions energy: -1.510 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -17.709599 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -3.779 flat angles P-C4'-P energy: -3.501 tors. eta vs tors. theta energy: -0.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -20.057662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.057662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.057662 (E_RNA) where: Base-Base interactions energy: -2.300 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.046 local terms energy: -17.711711 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.344 flat angles P-C4'-P energy: -3.894 tors. eta vs tors. theta energy: 3.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -19.389747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.389747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.389747 (E_RNA) where: Base-Base interactions energy: -4.411 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.059 local terms energy: -15.036958 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.262 flat angles C4'-P-C4' energy: -4.481 flat angles P-C4'-P energy: -1.164 tors. eta vs tors. theta energy: -0.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -18.642868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.642868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.642868 (E_RNA) where: Base-Base interactions energy: -1.831 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.191 local terms energy: -16.621433 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -2.248 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: 1 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -21.149482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.149482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.149482 (E_RNA) where: Base-Base interactions energy: -4.225 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.780 local terms energy: -16.144364 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.370 flat angles P-C4'-P energy: -3.542 tors. eta vs tors. theta energy: 3.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -21.677695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.677695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.677695 (E_RNA) where: Base-Base interactions energy: -4.790 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.165 local terms energy: -16.722674 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.360 flat angles P-C4'-P energy: -3.184 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: 3, replica: 2 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -20.731073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.731073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.731073 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -20.703475 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -2.706 flat angles P-C4'-P energy: -4.146 tors. eta vs tors. theta energy: -3.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -19.838401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.838401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.838401 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.838382 where: bonds (distance) C4'-P energy: -2.887 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.524 flat angles P-C4'-P energy: -3.966 tors. eta vs tors. theta energy: -1.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -21.814644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.814644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.814644 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.814419 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -3.733 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: 6, replica: 4 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -22.006698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.006698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.006698 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.071 local terms energy: -21.935516 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.573 flat angles P-C4'-P energy: -4.208 tors. eta vs tors. theta energy: -2.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -20.954766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.954766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.954766 (E_RNA) where: Base-Base interactions energy: -4.345 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.159 local terms energy: -16.450885 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.827 flat angles P-C4'-P energy: -2.423 tors. eta vs tors. theta energy: 1.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -19.513157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.513157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.513157 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.513157 where: bonds (distance) C4'-P energy: -3.917 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -1.010 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: 346 Temperature: 1.300000 Total energy: -18.247839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.247839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.247839 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -18.230876 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.693 flat angles P-C4'-P energy: -4.300 tors. eta vs tors. theta energy: 0.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -20.457528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.457528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.457528 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -20.447827 where: bonds (distance) C4'-P energy: -3.321 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -4.287 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: 347 Temperature: 0.900000 Total energy: -25.951600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.951600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.951600 (E_RNA) where: Base-Base interactions energy: -4.636 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -21.310415 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -2.460 tors. eta vs tors. theta energy: -2.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -21.358209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.358209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.358209 (E_RNA) where: Base-Base interactions energy: -1.170 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.072 local terms energy: -20.116514 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.281 flat angles P-C4'-P energy: -3.866 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: 3, replica: 3 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -22.420723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.420723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.420723 (E_RNA) where: Base-Base interactions energy: -5.203 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.246 local terms energy: -17.463469 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -1.887 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: 4, replica: 5 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -19.899614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.899614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.899614 (E_RNA) where: Base-Base interactions energy: 0.338 where: short stacking energy: 0.338 Base-Backbone interact. energy: -0.069 local terms energy: -20.169288 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.795 flat angles P-C4'-P energy: -3.776 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: 5, replica: 9 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -20.684111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.684111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.684111 (E_RNA) where: Base-Base interactions energy: -0.969 where: short stacking energy: 0.262 Base-Backbone interact. energy: -0.097 local terms energy: -19.618799 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -5.189 flat angles P-C4'-P energy: -4.243 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: 6, replica: 6 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -20.857627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.857627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.857627 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.857626 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.693 flat angles P-C4'-P energy: -4.468 tors. eta vs tors. theta energy: -1.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -20.966790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.966790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.966790 (E_RNA) where: Base-Base interactions energy: -0.926 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.037 local terms energy: -20.004212 where: bonds (distance) C4'-P energy: -4.389 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -2.899 flat angles P-C4'-P energy: -4.299 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: 8, replica: 10 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -18.820656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.820656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.820656 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -18.818053 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: 0.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -21.390632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.390632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.390632 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.390632 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.112 flat angles P-C4'-P energy: -4.438 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: 7 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -19.160853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.160853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.160853 (E_RNA) where: Base-Base interactions energy: 0.449 where: short stacking energy: 0.449 Base-Backbone interact. energy: -0.004 local terms energy: -19.605343 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.362 flat angles P-C4'-P energy: -3.536 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: 2 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -26.037237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.037237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.037237 (E_RNA) where: Base-Base interactions energy: -5.732 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.387 local terms energy: -19.918146 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -3.608 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: 2, replica: 1 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -22.578495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.578495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.578495 (E_RNA) where: Base-Base interactions energy: -1.054 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.043 local terms energy: -21.481038 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.838 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: -1.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -22.201232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.201232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.201232 (E_RNA) where: Base-Base interactions energy: -6.379 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -15.727339 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -2.031 flat angles P-C4'-P energy: -3.728 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: 4, replica: 5 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -20.233041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.233041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.233041 (E_RNA) where: Base-Base interactions energy: -0.048 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.184767 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.850 flat angles P-C4'-P energy: -2.581 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: 5, replica: 6 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -20.366986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.366986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.366986 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -20.272313 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.544 flat angles P-C4'-P energy: -3.490 tors. eta vs tors. theta energy: -1.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -21.423033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.423033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.423033 (E_RNA) where: Base-Base interactions energy: -0.450 where: short stacking energy: 0.017 Base-Backbone interact. energy: -0.000 local terms energy: -20.972554 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.372 flat angles P-C4'-P energy: -4.607 tors. eta vs tors. theta energy: -1.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -20.397301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.397301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.397301 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.397301 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.508 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -0.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -20.170946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.170946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.170946 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.063 local terms energy: -20.107706 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.029 flat angles P-C4'-P energy: -4.323 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: 7 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -17.448495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.448495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.448495 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -17.447423 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -4.099 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: 10, replica: 8 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -18.396694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.396694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.396694 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.409 local terms energy: -18.805689 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.222 flat angles P-C4'-P energy: -4.712 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: 1, replica: 2 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -23.331520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.331520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.331520 (E_RNA) where: Base-Base interactions energy: -3.987 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -19.318364 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.762 flat angles P-C4'-P energy: -4.275 tors. eta vs tors. theta energy: 0.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -20.979989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.979989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.979989 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.979967 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.441 flat angles P-C4'-P energy: -3.557 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: 3, replica: 1 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -22.194969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.194969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.194969 (E_RNA) where: Base-Base interactions energy: -3.491 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.036 local terms energy: -18.668581 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.853 flat angles P-C4'-P energy: -4.173 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: 4, replica: 6 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -23.140962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.140962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.140962 (E_RNA) where: Base-Base interactions energy: -5.724 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.147 local terms energy: -17.269652 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -4.480 flat angles C4'-P-C4' energy: -4.778 flat angles P-C4'-P energy: -3.756 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: 5, replica: 5 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -21.171380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.171380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.171380 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.171373 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.906 flat angles P-C4'-P energy: -3.867 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: 6, replica: 10 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -21.732760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.732760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.732760 (E_RNA) where: Base-Base interactions energy: -3.687 where: short stacking energy: 0.135 Base-Backbone interact. energy: -0.043 local terms energy: -18.002644 where: bonds (distance) C4'-P energy: -2.869 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.420 flat angles P-C4'-P energy: -2.427 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: 7, replica: 9 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -19.547885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.547885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.547885 (E_RNA) where: Base-Base interactions energy: -4.625 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.111 local terms energy: -14.811839 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.541 flat angles P-C4'-P energy: -3.416 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: 8, replica: 4 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -20.636015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.636015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.636015 (E_RNA) where: Base-Base interactions energy: -1.697 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.179 local terms energy: -18.760017 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -2.152 flat angles P-C4'-P energy: -4.494 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: 9, replica: 7 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -19.360036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.360036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.360036 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.359636 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.194 flat angles P-C4'-P energy: -3.251 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: 10, replica: 8 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -20.461653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.461653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.461653 (E_RNA) where: Base-Base interactions energy: -2.854 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.337 local terms energy: -17.944373 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -3.516 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: 3 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -22.668331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.668331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.668331 (E_RNA) where: Base-Base interactions energy: -5.470 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.188 local terms energy: -17.010780 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.201 flat angles P-C4'-P energy: -2.462 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: 2 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -23.347302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.347302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.347302 (E_RNA) where: Base-Base interactions energy: -4.087 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.258374 where: bonds (distance) C4'-P energy: -5.205 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.064 flat angles P-C4'-P energy: -4.458 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: 3, replica: 6 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -21.127097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.127097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.127097 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -21.122099 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -4.044 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: 4, replica: 1 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -20.309599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.309599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.309599 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.309469 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.969 flat angles P-C4'-P energy: -3.328 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: 5, replica: 10 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -21.860662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.860662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.860662 (E_RNA) where: Base-Base interactions energy: -4.471 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.080 local terms energy: -17.309729 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -4.513 flat angles P-C4'-P energy: -4.273 tors. eta vs tors. theta energy: 0.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -21.337440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.337440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.337440 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.337435 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.481 flat angles P-C4'-P energy: -4.534 tors. eta vs tors. theta energy: -1.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -21.345606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.345606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.345606 (E_RNA) where: Base-Base interactions energy: -4.368 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.025 local terms energy: -16.953147 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -2.371 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: 8, replica: 4 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -20.159846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.159846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.159846 (E_RNA) where: Base-Base interactions energy: 0.137 where: short stacking energy: 0.137 Base-Backbone interact. energy: -0.001 local terms energy: -20.295589 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.256 flat angles P-C4'-P energy: -4.379 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: 8 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -21.281598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.281598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.281598 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.280504 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.505 flat angles P-C4'-P energy: -3.973 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: 7 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -18.826846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.826846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.826846 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -18.816283 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -1.604 flat angles P-C4'-P energy: -3.969 tors. eta vs tors. theta energy: -3.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -21.191393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.191393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.191393 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -21.124597 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -3.063 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: 2, replica: 6 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -22.578461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.578461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.578461 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.578410 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.133 flat angles P-C4'-P energy: -4.273 tors. eta vs tors. theta energy: -2.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -24.057040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.057040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.057040 (E_RNA) where: Base-Base interactions energy: -4.631 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.895 local terms energy: -18.530277 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -3.718 tors. eta vs tors. theta energy: 1.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -20.168987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.168987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.168987 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.168606 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.639 flat angles P-C4'-P energy: -3.796 tors. eta vs tors. theta energy: -1.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -19.416968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.416968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.416968 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.415004 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.613 flat angles P-C4'-P energy: -3.473 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: 6, replica: 9 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -20.784822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.784822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.784822 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.784306 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.601 flat angles P-C4'-P energy: -3.352 tors. eta vs tors. theta energy: -3.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -20.541458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.541458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.541458 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.535761 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -3.089 tors. eta vs tors. theta energy: -1.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -19.754875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.754875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.754875 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.307 local terms energy: -19.447429 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.134 flat angles P-C4'-P energy: -3.372 tors. eta vs tors. theta energy: 0.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -21.151669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.151669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.151669 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.147 local terms energy: -21.004952 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.032 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -1.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -20.031633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.031633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.031633 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.031616 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.013 flat angles P-C4'-P energy: -3.205 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: 1, replica: 6 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -24.401512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.401512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.401512 (E_RNA) where: Base-Base interactions energy: -4.881 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.324 local terms energy: -19.196595 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -2.865 flat angles P-C4'-P energy: -3.342 tors. eta vs tors. theta energy: -3.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -21.901535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.901535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.901535 (E_RNA) where: Base-Base interactions energy: -4.569 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -17.243212 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -3.998 flat angles C4'-P-C4' energy: -5.563 flat angles P-C4'-P energy: -4.521 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: 3, replica: 10 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -22.264949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.264949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.264949 (E_RNA) where: Base-Base interactions energy: -5.007 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.062 local terms energy: -17.196228 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -3.833 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: 4, replica: 2 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -21.232817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.232817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.232817 (E_RNA) where: Base-Base interactions energy: 0.052 where: short stacking energy: 0.052 Base-Backbone interact. energy: -0.072 local terms energy: -21.213229 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.832 flat angles P-C4'-P energy: -3.930 tors. eta vs tors. theta energy: -1.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -19.623520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.623520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.623520 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.130 local terms energy: -19.493348 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -5.790 flat angles C4'-P-C4' energy: -5.233 flat angles P-C4'-P energy: -4.406 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: 1 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -20.420948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.420948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.420948 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.420031 where: bonds (distance) C4'-P energy: -3.899 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.468 flat angles P-C4'-P energy: -2.993 tors. eta vs tors. theta energy: -3.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -21.307453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.307453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.307453 (E_RNA) where: Base-Base interactions energy: -1.667 where: short stacking energy: 0.081 Base-Backbone interact. energy: -0.000 local terms energy: -19.639689 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.538 flat angles C4'-P-C4' energy: -4.723 flat angles P-C4'-P energy: -4.074 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: 8, replica: 5 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -19.734375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.734375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.734375 (E_RNA) where: Base-Base interactions energy: -2.092 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.982 local terms energy: -16.660602 where: bonds (distance) C4'-P energy: -2.435 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.965 flat angles P-C4'-P energy: -3.516 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: 7 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -20.496826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.496826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.496826 (E_RNA) where: Base-Base interactions energy: -1.864 where: short stacking energy: 0.405 Base-Backbone interact. energy: -0.003 local terms energy: -18.629980 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -3.157 flat angles P-C4'-P energy: -2.954 tors. eta vs tors. theta energy: -3.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -19.629459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.629459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.629459 (E_RNA) where: Base-Base interactions energy: -3.065 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -16.551152 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.089 flat angles P-C4'-P energy: -1.339 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: 6 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -19.909672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.909672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.909672 (E_RNA) where: Base-Base interactions energy: -4.098 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -15.798205 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.175 flat angles P-C4'-P energy: -4.444 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: 2, replica: 10 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -23.327721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.327721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.327721 (E_RNA) where: Base-Base interactions energy: -5.098 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.037 local terms energy: -18.192703 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.447 flat angles P-C4'-P energy: -3.989 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: 3, replica: 3 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -20.309530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.309530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.309530 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.040 local terms energy: -20.269794 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -1.888 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: 4, replica: 9 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -23.617696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.617696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.617696 (E_RNA) where: Base-Base interactions energy: -7.539 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.626 local terms energy: -15.453228 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -2.073 tors. eta vs tors. theta energy: 3.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -20.431743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.431743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.431743 (E_RNA) where: Base-Base interactions energy: -5.562 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -14.840201 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -3.575 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -3.914 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: 353 Temperature: 1.150000 Total energy: -20.618833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.618833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.618833 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.616437 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.566 flat angles P-C4'-P energy: -3.911 tors. eta vs tors. theta energy: -1.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -20.516589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.516589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.516589 (E_RNA) where: Base-Base interactions energy: 0.175 where: short stacking energy: 0.175 Base-Backbone interact. energy: -0.193 local terms energy: -20.497912 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.489 flat angles P-C4'-P energy: -3.088 tors. eta vs tors. theta energy: -1.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -19.565877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.565877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.565877 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.036 local terms energy: -19.529875 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.468 flat angles P-C4'-P energy: -2.847 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: 9, replica: 5 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -19.522979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.522979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.522979 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.522107 where: bonds (distance) C4'-P energy: -3.287 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -3.773 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: 4 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -19.986468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.986468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.986468 (E_RNA) where: Base-Base interactions energy: 0.619 where: short stacking energy: 0.619 Base-Backbone interact. energy: -0.003 local terms energy: -20.602237 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.747 flat angles P-C4'-P energy: -3.576 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: 1, replica: 10 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -22.522562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.522562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.522562 (E_RNA) where: Base-Base interactions energy: -2.718 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -19.769017 where: bonds (distance) C4'-P energy: -4.066 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.693 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: 0.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -21.280807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.280807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.280807 (E_RNA) where: Base-Base interactions energy: -2.493 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -18.779634 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.637 flat angles P-C4'-P energy: -2.642 tors. eta vs tors. theta energy: -1.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -20.802219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.802219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.802219 (E_RNA) where: Base-Base interactions energy: -5.608 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.119 local terms energy: -15.074590 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -3.854 flat angles C4'-P-C4' energy: -4.482 flat angles P-C4'-P energy: -3.799 tors. eta vs tors. theta energy: 1.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -19.919398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.919398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.919398 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.302 local terms energy: -19.616922 where: bonds (distance) C4'-P energy: -4.538 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.957 flat angles P-C4'-P energy: -3.357 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: 5, replica: 8 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -21.681655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.681655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.681655 (E_RNA) where: Base-Base interactions energy: -1.341 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -20.332162 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.458 flat angles P-C4'-P energy: -3.657 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: 6, replica: 2 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -18.687958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.687958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.687958 (E_RNA) where: Base-Base interactions energy: 0.429 where: short stacking energy: 0.429 Base-Backbone interact. energy: -0.024 local terms energy: -19.092983 where: bonds (distance) C4'-P energy: -4.289 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -5.543 flat angles P-C4'-P energy: -3.439 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: 7 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -23.292624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.292624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.292624 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.292624 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.377 flat angles P-C4'-P energy: -4.215 tors. eta vs tors. theta energy: -4.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -19.536435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.536435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.536435 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.025 local terms energy: -19.511202 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -4.841 flat angles P-C4'-P energy: -3.814 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: 4 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -19.035910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.035910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.035910 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.149 local terms energy: -18.886554 where: bonds (distance) C4'-P energy: -3.545 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: -0.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -18.968663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.968663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.968663 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.872 local terms energy: -18.096458 where: bonds (distance) C4'-P energy: -4.207 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -2.952 flat angles P-C4'-P energy: -3.180 tors. eta vs tors. theta energy: -2.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -22.392971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.392971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.392971 (E_RNA) where: Base-Base interactions energy: -5.462 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.145 local terms energy: -16.785597 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.567 flat angles P-C4'-P energy: -3.437 tors. eta vs tors. theta energy: 2.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -20.276146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.276146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.276146 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -20.176272 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.111 flat angles P-C4'-P energy: -3.268 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: 3, replica: 6 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -23.717763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.717763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.717763 (E_RNA) where: Base-Base interactions energy: -3.639 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.304 local terms energy: -20.383310 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.552 flat angles P-C4'-P energy: -3.935 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: 4, replica: 8 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -21.206960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.206960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.206960 (E_RNA) where: Base-Base interactions energy: -5.014 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.146 local terms energy: -16.046634 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -2.718 flat angles P-C4'-P energy: -4.553 tors. eta vs tors. theta energy: 2.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -20.023293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.023293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.023293 (E_RNA) where: Base-Base interactions energy: -0.642 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.075 local terms energy: -19.307141 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.992 flat angles P-C4'-P energy: -4.256 tors. eta vs tors. theta energy: 0.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -22.047440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.047440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.047440 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -22.043683 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: -3.591 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: 7, replica: 2 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -20.879225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.879225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.879225 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.878100 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -4.760 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: 4 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -19.618595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.618595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.618595 (E_RNA) where: Base-Base interactions energy: -0.207 where: short stacking energy: 0.800 Base-Backbone interact. energy: -0.001 local terms energy: -19.410785 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -3.683 flat angles P-C4'-P energy: -3.596 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: 1 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -20.016568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.016568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.016568 (E_RNA) where: Base-Base interactions energy: 0.150 where: short stacking energy: 0.150 Base-Backbone interact. energy: -0.002 local terms energy: -20.164660 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -4.351 tors. eta vs tors. theta energy: -1.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -20.129685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.129685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.129685 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.125435 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.554 flat angles P-C4'-P energy: -3.851 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: 1, replica: 9 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -21.772699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.772699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.772699 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.772369 where: bonds (distance) C4'-P energy: -4.323 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.200 flat angles P-C4'-P energy: -4.306 tors. eta vs tors. theta energy: -2.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -22.259942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.259942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.259942 (E_RNA) where: Base-Base interactions energy: -5.404 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -16.838033 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.134 flat angles P-C4'-P energy: -2.835 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: 3, replica: 8 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -22.185182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.185182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.185182 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -22.180988 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -3.949 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: 6 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -22.076607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.076607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.076607 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.076607 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.200 flat angles P-C4'-P energy: -4.214 tors. eta vs tors. theta energy: -2.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -22.096921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.096921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.096921 (E_RNA) where: Base-Base interactions energy: -5.125 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.412 local terms energy: -16.559720 where: bonds (distance) C4'-P energy: -5.097 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.136 flat angles P-C4'-P energy: -3.227 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: 6, replica: 3 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -20.656083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.656083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.656083 (E_RNA) where: Base-Base interactions energy: -3.808 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.166 local terms energy: -16.682593 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.755 flat angles P-C4'-P energy: -3.272 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: 7, replica: 4 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -19.316633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.316633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.316633 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.050 local terms energy: -19.266846 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -0.931 tors. eta vs tors. theta energy: -1.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -19.309421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.309421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.309421 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -19.295232 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -4.262 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: 5 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -20.117752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.117752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.117752 (E_RNA) where: Base-Base interactions energy: -5.303 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.057 local terms energy: -14.757477 where: bonds (distance) C4'-P energy: -3.545 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -2.939 tors. eta vs tors. theta energy: 2.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -20.247157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.247157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.247157 (E_RNA) where: Base-Base interactions energy: 0.441 where: short stacking energy: 0.441 Base-Backbone interact. energy: -0.122 local terms energy: -20.566947 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -4.571 tors. eta vs tors. theta energy: 0.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -23.347427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.347427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.347427 (E_RNA) where: Base-Base interactions energy: -3.357 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.988845 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -3.858 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: 2, replica: 8 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -21.598855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.598855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.598855 (E_RNA) where: Base-Base interactions energy: -1.773 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.825447 where: bonds (distance) C4'-P energy: -3.528 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.515 flat angles P-C4'-P energy: -3.933 tors. eta vs tors. theta energy: -2.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -21.475800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.475800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.475800 (E_RNA) where: Base-Base interactions energy: 0.044 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -21.516676 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -5.001 flat angles C4'-P-C4' energy: -5.044 flat angles P-C4'-P energy: -2.842 tors. eta vs tors. theta energy: -4.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -21.837829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.837829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.837829 (E_RNA) where: Base-Base interactions energy: -0.791 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.044631 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.007 flat angles P-C4'-P energy: -4.071 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: 7 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -21.735809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.735809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.735809 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -21.723402 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.202 flat angles P-C4'-P energy: -4.281 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: 4 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -19.634709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.634709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.634709 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -19.534697 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.247 flat angles P-C4'-P energy: -4.220 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: 7, replica: 3 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -19.555136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.555136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.555136 (E_RNA) where: Base-Base interactions energy: -0.430 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.199 local terms energy: -18.925884 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -4.083 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: 8, replica: 5 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -21.425697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.425697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.425697 (E_RNA) where: Base-Base interactions energy: -4.962 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.024 local terms energy: -16.439973 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -4.898 flat angles P-C4'-P energy: -2.839 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: 2 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -19.772192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.772192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.772192 (E_RNA) where: Base-Base interactions energy: -5.863 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -13.874148 where: bonds (distance) C4'-P energy: -2.534 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -4.347 flat angles P-C4'-P energy: -4.541 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: 10, replica: 1 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -17.993186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.993186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.993186 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -17.894770 where: bonds (distance) C4'-P energy: -4.459 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -3.192 tors. eta vs tors. theta energy: 0.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -23.038580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.038580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.038580 (E_RNA) where: Base-Base interactions energy: -1.363 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.673244 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -2.614 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: 2, replica: 9 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -22.610086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.610086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.610086 (E_RNA) where: Base-Base interactions energy: -1.580 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -21.014605 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.437 flat angles P-C4'-P energy: -4.089 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: 3, replica: 6 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -20.681985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.681985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.681985 (E_RNA) where: Base-Base interactions energy: -4.507 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -16.167307 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -2.750 flat angles P-C4'-P energy: -4.664 tors. eta vs tors. theta energy: 1.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -21.393617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.393617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.393617 (E_RNA) where: Base-Base interactions energy: -5.197 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -16.188741 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.187 flat angles P-C4'-P energy: -1.997 tors. eta vs tors. theta energy: 0.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -20.753897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.753897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.753897 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.442 local terms energy: -20.311770 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -4.188 tors. eta vs tors. theta energy: -0.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -20.590897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.590897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.590897 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.590883 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.150 flat angles P-C4'-P energy: -3.772 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: 7, replica: 5 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -20.088473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.088473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.088473 (E_RNA) where: Base-Base interactions energy: -0.134 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.055 local terms energy: -19.899897 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.170 flat angles P-C4'-P energy: -3.834 tors. eta vs tors. theta energy: -1.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -19.223125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.223125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.223125 (E_RNA) where: Base-Base interactions energy: -1.839 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -17.383627 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -5.034 flat angles P-C4'-P energy: -1.627 tors. eta vs tors. theta energy: -1.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -18.931896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.931896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.931896 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.058 local terms energy: -18.873456 where: bonds (distance) C4'-P energy: -4.869 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -2.000 tors. eta vs tors. theta energy: -0.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -18.699925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.699925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.699925 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -18.697268 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -2.713 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: 1, replica: 8 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -21.616584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.616584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.616584 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.615757 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.829 flat angles P-C4'-P energy: -4.362 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: 2, replica: 6 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -21.723953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.723953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.723953 (E_RNA) where: Base-Base interactions energy: -1.567 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.078 local terms energy: -20.079326 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.396 flat angles P-C4'-P energy: -3.992 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: 3, replica: 9 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -20.738627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.738627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.738627 (E_RNA) where: Base-Base interactions energy: -4.727 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.125 local terms energy: -15.886802 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.059 flat angles P-C4'-P energy: -3.536 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: 4, replica: 4 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -22.169947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.169947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.169947 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -22.167587 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.240 flat angles P-C4'-P energy: -3.564 tors. eta vs tors. theta energy: -4.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -20.129309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.129309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.129309 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -20.108901 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.286 flat angles P-C4'-P energy: -3.015 tors. eta vs tors. theta energy: -0.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -21.464769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.464769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.464769 (E_RNA) where: Base-Base interactions energy: -4.086 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.489 local terms energy: -16.889869 where: bonds (distance) C4'-P energy: -2.815 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -4.074 flat angles P-C4'-P energy: -3.487 tors. eta vs tors. theta energy: -0.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -20.485383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.485383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.485383 (E_RNA) where: Base-Base interactions energy: -0.878 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -19.580675 where: bonds (distance) C4'-P energy: -4.832 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -3.736 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: 8, replica: 1 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -19.341060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.341060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.341060 (E_RNA) where: Base-Base interactions energy: -1.460 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.278 local terms energy: -17.603242 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.463 flat angles P-C4'-P energy: -4.702 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: 3 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -18.857315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.857315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.857315 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.857133 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.255 flat angles C4'-P-C4' energy: -5.190 flat angles P-C4'-P energy: -3.750 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: 10, replica: 2 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -18.867745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.867745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.867745 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.166 local terms energy: -18.702146 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.261 flat angles P-C4'-P energy: -4.553 tors. eta vs tors. theta energy: 2.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -21.624637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.624637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.624637 (E_RNA) where: Base-Base interactions energy: -7.187 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.198 local terms energy: -14.240020 where: bonds (distance) C4'-P energy: -3.180 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.013 flat angles P-C4'-P energy: -3.506 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: 6 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -21.024433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.024433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.024433 (E_RNA) where: Base-Base interactions energy: -5.204 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.246 local terms energy: -15.574079 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.546 flat angles P-C4'-P energy: -3.589 tors. eta vs tors. theta energy: 2.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -20.859103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.859103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.859103 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -20.832594 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.840 flat angles P-C4'-P energy: -3.721 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: 4, replica: 9 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -21.723640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.723640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.723640 (E_RNA) where: Base-Base interactions energy: -7.267 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.049 local terms energy: -14.407237 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.212 flat angles C4'-P-C4' energy: -1.689 flat angles P-C4'-P energy: -3.694 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: 5, replica: 5 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -21.619269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.619269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.619269 (E_RNA) where: Base-Base interactions energy: -5.401 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.121 local terms energy: -16.097348 where: bonds (distance) C4'-P energy: -4.509 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.230 flat angles P-C4'-P energy: -2.711 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: 6, replica: 10 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -22.238771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.238771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.238771 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.081 local terms energy: -22.157465 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.944 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -2.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -21.426586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.426586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.426586 (E_RNA) where: Base-Base interactions energy: -7.015 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.650 local terms energy: -13.761436 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -3.411 flat angles P-C4'-P energy: -4.448 tors. eta vs tors. theta energy: 3.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -18.995329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.995329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.995329 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.144 local terms energy: -18.851144 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -3.874 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: 9, replica: 2 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -19.935593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.935593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.935593 (E_RNA) where: Base-Base interactions energy: -2.686 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.200 local terms energy: -17.049779 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.855 flat angles P-C4'-P energy: -1.639 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: 10, replica: 3 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -20.007653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.007653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.007653 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.050 local terms energy: -19.957957 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -4.309 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: 8 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -24.089969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.089969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.089969 (E_RNA) where: Base-Base interactions energy: -4.825 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -19.259780 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.432 flat angles P-C4'-P energy: -3.988 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: 2, replica: 4 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -22.506990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.506990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.506990 (E_RNA) where: Base-Base interactions energy: -4.660 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.057 local terms energy: -17.789745 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.851 flat angles P-C4'-P energy: -4.351 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: 3, replica: 6 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -20.633809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.633809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.633809 (E_RNA) where: Base-Base interactions energy: -5.503 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.051 local terms energy: -15.079517 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -2.037 tors. eta vs tors. theta energy: 3.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -22.361964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.361964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.361964 (E_RNA) where: Base-Base interactions energy: -1.492 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -20.860138 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -4.365 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: 5, replica: 9 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -21.593551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.593551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.593551 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.592865 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -5.269 flat angles P-C4'-P energy: -3.955 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: 6, replica: 1 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -18.862024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.862024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.862024 (E_RNA) where: Base-Base interactions energy: 0.083 where: short stacking energy: 0.083 Base-Backbone interact. energy: -0.020 local terms energy: -18.924398 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -4.952 flat angles P-C4'-P energy: -4.458 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: 7, replica: 10 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -19.043482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.043482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.043482 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.043412 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -3.946 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: 8, replica: 7 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -19.895708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.895708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.895708 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -19.887599 where: bonds (distance) C4'-P energy: -3.891 bonds (distance) P-C4' energy: -4.550 flat angles C4'-P-C4' energy: -3.812 flat angles P-C4'-P energy: -3.955 tors. eta vs tors. theta energy: -3.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -20.700347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.700347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.700347 (E_RNA) where: Base-Base interactions energy: -4.565 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -16.117766 where: bonds (distance) C4'-P energy: -3.171 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.978 flat angles P-C4'-P energy: -3.410 tors. eta vs tors. theta energy: 1.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -20.723506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.723506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.723506 (E_RNA) where: Base-Base interactions energy: -0.096 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -20.619687 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.895 flat angles P-C4'-P energy: -4.023 tors. eta vs tors. theta energy: -1.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -28.508677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.508677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.508677 (E_RNA) where: Base-Base interactions energy: -8.773 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.179 local terms energy: -19.556484 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.204 flat angles P-C4'-P energy: -3.573 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: 2, replica: 8 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -21.411436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.411436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.411436 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.572 local terms energy: -20.839553 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.856 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: -1.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -22.958126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.958126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.958126 (E_RNA) where: Base-Base interactions energy: -5.716 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.154 local terms energy: -17.087449 where: bonds (distance) C4'-P energy: -4.299 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -3.517 flat angles P-C4'-P energy: -4.694 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: 4, replica: 6 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -21.510873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.510873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.510873 (E_RNA) where: Base-Base interactions energy: -2.123 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.798 local terms energy: -18.589870 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.162 flat angles P-C4'-P energy: -4.285 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: 5, replica: 9 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -21.067287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.067287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.067287 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.067186 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.349 flat angles P-C4'-P energy: -2.880 tors. eta vs tors. theta energy: -2.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -20.896759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.896759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.896759 (E_RNA) where: Base-Base interactions energy: -0.264 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -20.535288 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.041 flat angles P-C4'-P energy: -3.659 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: 7, replica: 10 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -20.188263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.188263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.188263 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.187751 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -4.571 tors. eta vs tors. theta energy: 0.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -19.148227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.148227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.148227 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.147273 where: bonds (distance) C4'-P energy: -3.234 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -2.914 tors. eta vs tors. theta energy: -2.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -22.547075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.547075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.547075 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -22.534416 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -4.235 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: 10, replica: 2 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -19.676709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.676709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.676709 (E_RNA) where: Base-Base interactions energy: 0.009 where: short stacking energy: 0.009 Base-Backbone interact. energy: -0.000 local terms energy: -19.686059 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.538 flat angles P-C4'-P energy: -2.577 tors. eta vs tors. theta energy: -0.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -20.674840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.674840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.674840 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.674788 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -3.891 tors. eta vs tors. theta energy: -0.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -20.737252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.737252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.737252 (E_RNA) where: Base-Base interactions energy: -3.820 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.615 local terms energy: -16.302773 where: bonds (distance) C4'-P energy: -2.455 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.724 flat angles P-C4'-P energy: -3.551 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: 3, replica: 8 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -20.752474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.752474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.752474 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.752435 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.446 flat angles P-C4'-P energy: -3.687 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: 4, replica: 9 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -22.527932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.527932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.527932 (E_RNA) where: Base-Base interactions energy: -5.632 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -16.803469 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.749 flat angles P-C4'-P energy: -3.751 tors. eta vs tors. theta energy: 2.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -21.955033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.955033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.955033 (E_RNA) where: Base-Base interactions energy: -0.405 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.157 local terms energy: -21.392945 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.456 flat angles P-C4'-P energy: -4.522 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: 6, replica: 10 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -20.811092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.811092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.811092 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.811087 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -4.842 flat angles P-C4'-P energy: -4.053 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: 7, replica: 1 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -19.606933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.606933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.606933 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.641 local terms energy: -20.247939 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.145 flat angles P-C4'-P energy: -4.713 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: 8, replica: 3 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -20.450221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.450221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.450221 (E_RNA) where: Base-Base interactions energy: -4.314 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -16.109301 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.009 flat angles P-C4'-P energy: -1.235 tors. eta vs tors. theta energy: 0.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -20.560901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.560901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.560901 (E_RNA) where: Base-Base interactions energy: -3.790 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.064 local terms energy: -16.706293 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.332 flat angles P-C4'-P energy: -2.783 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: 10, replica: 2 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -19.139458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.139458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.139458 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.139456 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -2.856 flat angles P-C4'-P energy: -4.257 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: 1, replica: 5 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -22.486581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.486581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.486581 (E_RNA) where: Base-Base interactions energy: -4.809 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -17.594137 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -2.863 flat angles P-C4'-P energy: -3.585 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: 4 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -23.881446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.881446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.881446 (E_RNA) where: Base-Base interactions energy: 0.190 where: short stacking energy: 0.190 Base-Backbone interact. energy: -0.000 local terms energy: -24.070970 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -4.152 tors. eta vs tors. theta energy: -3.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -20.832718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.832718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.832718 (E_RNA) where: Base-Base interactions energy: -5.345 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.609 local terms energy: -16.096608 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.174 flat angles P-C4'-P energy: -4.045 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: 4, replica: 9 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -21.719362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.719362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.719362 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.718847 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.409 flat angles P-C4'-P energy: -4.589 tors. eta vs tors. theta energy: -2.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -21.946172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.946172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.946172 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.473 local terms energy: -21.473340 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.850 flat angles P-C4'-P energy: -4.009 tors. eta vs tors. theta energy: -2.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -20.246136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.246136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.246136 (E_RNA) where: Base-Base interactions energy: -4.257 where: short stacking energy: 0.322 Base-Backbone interact. energy: -0.011 local terms energy: -15.977636 where: bonds (distance) C4'-P energy: -0.021 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -4.763 flat angles P-C4'-P energy: -3.103 tors. eta vs tors. theta energy: -2.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -18.833179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.833179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.833179 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -18.822080 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.971 flat angles P-C4'-P energy: -3.689 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: 8, replica: 1 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -19.751089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.751089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.751089 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.073 local terms energy: -19.677687 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.069 flat angles P-C4'-P energy: -3.749 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: 2 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -19.865887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.865887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.865887 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.085 local terms energy: -19.781234 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.969 flat angles P-C4'-P energy: -3.177 tors. eta vs tors. theta energy: -1.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -18.970330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.970330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.970330 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -18.958247 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.975 flat angles P-C4'-P energy: -3.733 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: 1, replica: 5 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -21.582872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.582872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.582872 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -21.577001 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.488 flat angles P-C4'-P energy: -4.256 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: 2, replica: 8 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -25.831659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.831659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.831659 (E_RNA) where: Base-Base interactions energy: -2.149 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.508 local terms energy: -23.175014 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.475 flat angles P-C4'-P energy: -3.776 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: 4 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -23.451819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.451819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.451819 (E_RNA) where: Base-Base interactions energy: -5.155 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.055 local terms energy: -18.241269 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.063 flat angles P-C4'-P energy: -4.033 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: 4, replica: 10 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -20.785774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.785774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.785774 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.783300 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -4.561 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: 5, replica: 9 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -21.714917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.714917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.714917 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.714909 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.908 flat angles P-C4'-P energy: -2.026 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: 6, replica: 3 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -22.019362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.019362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.019362 (E_RNA) where: Base-Base interactions energy: -1.461 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.558420 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -2.583 flat angles P-C4'-P energy: -4.025 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: 7, replica: 6 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -19.863297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.863297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.863297 (E_RNA) where: Base-Base interactions energy: -4.442 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.184 local terms energy: -15.237727 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -4.687 flat angles P-C4'-P energy: -4.221 tors. eta vs tors. theta energy: 3.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -19.609936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.609936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.609936 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.609821 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.121 flat angles P-C4'-P energy: -2.424 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: 9, replica: 1 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -18.860302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.860302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.860302 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -18.831560 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -2.681 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: 10, replica: 7 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -19.183777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.183777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.183777 (E_RNA) where: Base-Base interactions energy: -5.176 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.141 local terms energy: -13.866365 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.247 flat angles P-C4'-P energy: -2.136 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: 1, replica: 8 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -21.950083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.950083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.950083 (E_RNA) where: Base-Base interactions energy: -1.599 where: short stacking energy: 0.016 Base-Backbone interact. energy: -0.008 local terms energy: -20.342626 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -3.593 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: 5 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -21.192442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.192442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.192442 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -21.180759 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.025 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -0.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -22.001703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.001703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.001703 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -21.917918 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.501 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: -4.184 tors. eta vs tors. theta energy: -2.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -21.311450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.311450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.311450 (E_RNA) where: Base-Base interactions energy: -4.616 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.322 local terms energy: -15.373590 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.474 flat angles P-C4'-P energy: -3.112 tors. eta vs tors. theta energy: 1.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -20.308494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.308494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.308494 (E_RNA) where: Base-Base interactions energy: -3.311 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.207 local terms energy: -16.790241 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -2.571 tors. eta vs tors. theta energy: 2.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -19.507863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.507863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.507863 (E_RNA) where: Base-Base interactions energy: 0.811 where: short stacking energy: 0.811 Base-Backbone interact. energy: -0.008 local terms energy: -20.310000 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.380 flat angles P-C4'-P energy: -4.585 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: 7, replica: 2 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -18.685372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.685372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.685372 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.685345 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.009 flat angles P-C4'-P energy: -1.157 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: 8, replica: 6 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -19.310061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.310061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.310061 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.308975 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.124 flat angles P-C4'-P energy: -4.178 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: 366 Temperature: 1.300000 Total energy: -19.612853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.612853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.612853 (E_RNA) where: Base-Base interactions energy: -2.209 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -17.401392 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.149 flat angles C4'-P-C4' energy: -3.650 flat angles P-C4'-P energy: -2.999 tors. eta vs tors. theta energy: -1.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -20.012872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.012872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.012872 (E_RNA) where: Base-Base interactions energy: -3.931 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.216 local terms energy: -15.865813 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.917 flat angles P-C4'-P energy: -2.984 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: 1, replica: 8 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -22.081986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.081986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.081986 (E_RNA) where: Base-Base interactions energy: -5.861 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -16.203072 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.439 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: 3.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -21.198668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.198668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.198668 (E_RNA) where: Base-Base interactions energy: 0.053 where: short stacking energy: 0.053 Base-Backbone interact. energy: -1.338 local terms energy: -19.914295 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.143 flat angles P-C4'-P energy: -3.527 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: 3, replica: 10 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -20.535847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.535847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.535847 (E_RNA) where: Base-Base interactions energy: -2.828 where: short stacking energy: 1.300 Base-Backbone interact. energy: -0.403 local terms energy: -17.305386 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.582 flat angles P-C4'-P energy: -3.055 tors. eta vs tors. theta energy: 0.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -22.826165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.826165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.826165 (E_RNA) where: Base-Base interactions energy: -5.309 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.320 local terms energy: -17.197619 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -2.721 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: 4 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -22.031441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.031441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.031441 (E_RNA) where: Base-Base interactions energy: -4.839 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.816 local terms energy: -16.377183 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -3.503 tors. eta vs tors. theta energy: 1.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -21.580719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.580719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.580719 (E_RNA) where: Base-Base interactions energy: -4.526 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.194 local terms energy: -16.860910 where: bonds (distance) C4'-P energy: -2.133 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.339 flat angles P-C4'-P energy: -2.301 tors. eta vs tors. theta energy: -3.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -19.581366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.581366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.581366 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -19.573667 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.742 flat angles P-C4'-P energy: -3.082 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: 8, replica: 7 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -21.218065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.218065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.218065 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.218063 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -4.547 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -4.207 tors. eta vs tors. theta energy: -2.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -20.354034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.354034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.354034 (E_RNA) where: Base-Base interactions energy: -3.047 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.106 local terms energy: -17.200709 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.142 flat angles P-C4'-P energy: -4.481 tors. eta vs tors. theta energy: 2.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -18.568534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.568534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.568534 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -18.555911 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.607 flat angles P-C4'-P energy: -2.539 tors. eta vs tors. theta energy: 0.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -21.025302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.025302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.025302 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.025295 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.134 flat angles P-C4'-P energy: -2.539 tors. eta vs tors. theta energy: -3.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -21.157332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.157332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.157332 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.610 local terms energy: -20.547613 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.083 flat angles P-C4'-P energy: -3.210 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: 3, replica: 10 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -22.611492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.611492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.611492 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -22.599946 where: bonds (distance) C4'-P energy: -5.242 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.760 flat angles P-C4'-P energy: -4.281 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: 4, replica: 9 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -22.949827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.949827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.949827 (E_RNA) where: Base-Base interactions energy: -5.070 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.071 local terms energy: -17.808224 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -3.994 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: 0.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -19.750937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.750937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.750937 (E_RNA) where: Base-Base interactions energy: -1.360 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.114 local terms energy: -18.277605 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.333 flat angles P-C4'-P energy: -2.672 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: 6, replica: 4 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -21.997851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.997851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.997851 (E_RNA) where: Base-Base interactions energy: -5.643 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.127 local terms energy: -16.227664 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.444 flat angles P-C4'-P energy: -2.615 tors. eta vs tors. theta energy: 1.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -20.929922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.929922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.929922 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -20.830051 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.429 flat angles P-C4'-P energy: -2.401 tors. eta vs tors. theta energy: -3.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -19.064617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.064617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.064617 (E_RNA) where: Base-Base interactions energy: 0.006 where: short stacking energy: 0.006 Base-Backbone interact. energy: -0.039 local terms energy: -19.031658 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.543 flat angles P-C4'-P energy: -3.060 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: 1 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -18.925698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.925698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.925698 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.923541 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -2.066 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: 10, replica: 6 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -20.289991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.289991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.289991 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -20.270331 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -4.464 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: 1, replica: 5 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -22.228426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.228426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.228426 (E_RNA) where: Base-Base interactions energy: -3.039 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.188 local terms energy: -19.001825 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -3.197 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: 2, replica: 10 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -21.402252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.402252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.402252 (E_RNA) where: Base-Base interactions energy: -4.148 where: short stacking energy: 0.026 Base-Backbone interact. energy: -0.026 local terms energy: -17.228941 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -3.851 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -4.702 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: 3, replica: 8 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -20.341802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.341802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.341802 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.341394 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.346 flat angles P-C4'-P energy: -3.275 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: 4, replica: 2 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -21.247131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.247131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.247131 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -21.212268 where: bonds (distance) C4'-P energy: -5.714 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.382 flat angles P-C4'-P energy: -2.142 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: 9 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -20.923407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.923407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.923407 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.923392 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.122 flat angles P-C4'-P energy: -3.689 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: 6, replica: 7 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -19.797017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.797017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.797017 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.796997 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.955 flat angles P-C4'-P energy: -1.750 tors. eta vs tors. theta energy: -2.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -20.190380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.190380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.190380 (E_RNA) where: Base-Base interactions energy: 0.046 where: short stacking energy: 0.046 Base-Backbone interact. energy: -1.201 local terms energy: -19.035294 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -4.492 tors. eta vs tors. theta energy: 1.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -19.694858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.694858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.694858 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.694858 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.878 flat angles P-C4'-P energy: -1.849 tors. eta vs tors. theta energy: -3.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -19.365599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.365599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.365599 (E_RNA) where: Base-Base interactions energy: -0.361 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.002485 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.920 flat angles P-C4'-P energy: -3.874 tors. eta vs tors. theta energy: 0.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -20.985698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.985698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.985698 (E_RNA) where: Base-Base interactions energy: -1.711 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.492 local terms energy: -19.766454 where: bonds (distance) C4'-P energy: -4.654 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.689 flat angles P-C4'-P energy: -3.789 tors. eta vs tors. theta energy: -1.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -22.530471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.530471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.530471 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.315 Base-Backbone interact. energy: -0.000 local terms energy: -22.730356 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.775 flat angles P-C4'-P energy: -3.246 tors. eta vs tors. theta energy: -4.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -20.400972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.400972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.400972 (E_RNA) where: Base-Base interactions energy: 0.203 where: short stacking energy: 0.700 Base-Backbone interact. energy: -0.020 local terms energy: -20.584522 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -4.842 flat angles C4'-P-C4' energy: -4.236 flat angles P-C4'-P energy: -4.697 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: 2 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -21.128235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.128235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.128235 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.316 local terms energy: -20.812395 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -3.294 tors. eta vs tors. theta energy: -1.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -21.213004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.213004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.213004 (E_RNA) where: Base-Base interactions energy: 0.033 where: short stacking energy: 0.033 Base-Backbone interact. energy: -1.742 local terms energy: -19.504598 where: bonds (distance) C4'-P energy: -3.888 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -3.742 flat angles P-C4'-P energy: -4.626 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: 7 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -21.986399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.986399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.986399 (E_RNA) where: Base-Base interactions energy: -5.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.054 local terms energy: -16.932493 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -4.145 tors. eta vs tors. theta energy: 2.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -19.975539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.975539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.975539 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -19.965497 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -3.600 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: 7, replica: 1 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -18.690771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.690771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.690771 (E_RNA) where: Base-Base interactions energy: -5.084 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.066 local terms energy: -13.540442 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -1.335 flat angles P-C4'-P energy: -3.759 tors. eta vs tors. theta energy: 2.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -19.889356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.889356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.889356 (E_RNA) where: Base-Base interactions energy: 0.250 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.192 local terms energy: -19.947588 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -4.029 tors. eta vs tors. theta energy: -0.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -19.549423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.549423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.549423 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -19.542857 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.691 flat angles P-C4'-P energy: -4.419 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: 370 Temperature: 1.350000 Total energy: -18.738265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.738265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.738265 (E_RNA) where: Base-Base interactions energy: -2.979 where: short stacking energy: 0.052 Base-Backbone interact. energy: -0.006 local terms energy: -15.754209 where: bonds (distance) C4'-P energy: -1.483 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: -4.496 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: 10 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -22.890752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.890752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.890752 (E_RNA) where: Base-Base interactions energy: -7.198 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.195 local terms energy: -15.497559 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.625 flat angles P-C4'-P energy: -3.948 tors. eta vs tors. theta energy: 3.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -21.320754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.320754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.320754 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.710 local terms energy: -20.611171 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.142 flat angles P-C4'-P energy: -4.579 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: 3, replica: 5 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -20.792148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.792148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.792148 (E_RNA) where: Base-Base interactions energy: 0.122 where: short stacking energy: 0.122 Base-Backbone interact. energy: -0.027 local terms energy: -20.887997 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.094 flat angles P-C4'-P energy: -4.324 tors. eta vs tors. theta energy: -2.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -23.471145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.471145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.471145 (E_RNA) where: Base-Base interactions energy: -5.055 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.044 local terms energy: -18.372059 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.567 flat angles P-C4'-P energy: -3.896 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: 8 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -22.880595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.880595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.880595 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.880591 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.259 flat angles P-C4'-P energy: -4.208 tors. eta vs tors. theta energy: -2.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -19.068475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.068475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.068475 (E_RNA) where: Base-Base interactions energy: -1.583 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.737 local terms energy: -15.749070 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.079 flat angles P-C4'-P energy: -4.684 tors. eta vs tors. theta energy: 1.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -18.760565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.760565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.760565 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.149 local terms energy: -18.611283 where: bonds (distance) C4'-P energy: -3.338 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.020 flat angles P-C4'-P energy: -4.008 tors. eta vs tors. theta energy: -1.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -20.937387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.937387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.937387 (E_RNA) where: Base-Base interactions energy: -4.661 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.050 local terms energy: -16.226667 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -2.093 flat angles P-C4'-P energy: -4.362 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: 9, replica: 4 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -20.608806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.608806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.608806 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.024 local terms energy: -20.584906 where: bonds (distance) C4'-P energy: -4.315 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.948 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: 10, replica: 3 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -19.537625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.537625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.537625 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.536749 where: bonds (distance) C4'-P energy: -3.458 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -4.200 flat angles P-C4'-P energy: -3.324 tors. eta vs tors. theta energy: -2.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -20.926902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.926902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.926902 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -20.827303 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -3.568 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: 2, replica: 10 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -21.361200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.361200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.361200 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.361122 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -4.018 tors. eta vs tors. theta energy: -1.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -23.347640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.347640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.347640 (E_RNA) where: Base-Base interactions energy: -4.951 where: short stacking energy: 0.307 Base-Backbone interact. energy: -0.334 local terms energy: -18.062972 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.772 flat angles P-C4'-P energy: -3.404 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: 4, replica: 5 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -19.905673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.905673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.905673 (E_RNA) where: Base-Base interactions energy: -0.017 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.081 local terms energy: -19.808197 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -3.012 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: 5, replica: 1 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -20.871045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.871045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.871045 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.066 local terms energy: -20.804991 where: bonds (distance) C4'-P energy: -3.429 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -4.184 flat angles P-C4'-P energy: -3.870 tors. eta vs tors. theta energy: -4.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -24.676563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.676563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.676563 (E_RNA) where: Base-Base interactions energy: -5.527 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.387 local terms energy: -18.762543 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -2.751 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: 7, replica: 6 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -22.172039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.172039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.172039 (E_RNA) where: Base-Base interactions energy: 0.261 where: short stacking energy: 0.261 Base-Backbone interact. energy: -0.000 local terms energy: -22.433472 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.755 flat angles P-C4'-P energy: -3.600 tors. eta vs tors. theta energy: -4.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -20.516523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.516523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.516523 (E_RNA) where: Base-Base interactions energy: -8.353 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.251 local terms energy: -11.911572 where: bonds (distance) C4'-P energy: -2.659 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -1.344 flat angles P-C4'-P energy: -4.129 tors. eta vs tors. theta energy: 1.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -20.354492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.354492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.354492 (E_RNA) where: Base-Base interactions energy: -3.183 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.057 local terms energy: -17.113855 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.190 flat angles P-C4'-P energy: -2.709 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: 10, replica: 4 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -21.745133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.745133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.745133 (E_RNA) where: Base-Base interactions energy: -5.750 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.151 local terms energy: -15.844785 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.890 flat angles P-C4'-P energy: -3.159 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: 373 Temperature: 0.900000 Total energy: -20.741881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.741881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.741881 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.741193 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.288 flat angles P-C4'-P energy: -4.102 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: 2, replica: 7 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -24.643575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.643575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.643575 (E_RNA) where: Base-Base interactions energy: -4.583 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.553 local terms energy: -20.614449 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -5.474 flat angles P-C4'-P energy: -2.295 tors. eta vs tors. theta energy: -2.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -20.843952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.843952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.843952 (E_RNA) where: Base-Base interactions energy: -0.702 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.142128 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.010 flat angles P-C4'-P energy: -4.690 tors. eta vs tors. theta energy: -1.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -19.786718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.786718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.786718 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.786329 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.501 flat angles C4'-P-C4' energy: -4.851 flat angles P-C4'-P energy: -4.150 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: 5, replica: 5 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -20.306451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.306451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.306451 (E_RNA) where: Base-Base interactions energy: -1.202 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -19.011376 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.702 flat angles P-C4'-P energy: -3.193 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: 6, replica: 6 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -20.348844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.348844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.348844 (E_RNA) where: Base-Base interactions energy: -5.374 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -14.970509 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.789 flat angles P-C4'-P energy: -3.136 tors. eta vs tors. theta energy: 3.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -20.091650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.091650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.091650 (E_RNA) where: Base-Base interactions energy: -5.067 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.237 local terms energy: -15.262293 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -2.958 flat angles P-C4'-P energy: -2.803 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: 8, replica: 9 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -18.841800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.841800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.841800 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.024 local terms energy: -18.817302 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.314 flat angles P-C4'-P energy: -4.512 tors. eta vs tors. theta energy: 1.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -20.627048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.627048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.627048 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.626993 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.538 flat angles P-C4'-P energy: -3.579 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: 10, replica: 4 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -20.274913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.274913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.274913 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -20.268214 where: bonds (distance) C4'-P energy: -4.948 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -4.403 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: 7 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -22.356504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.356504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.356504 (E_RNA) where: Base-Base interactions energy: -4.499 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.162 local terms energy: -17.695721 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.629 flat angles P-C4'-P energy: -1.416 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: 2 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -21.701702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.701702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.701702 (E_RNA) where: Base-Base interactions energy: -0.028 where: short stacking energy: 0.658 Base-Backbone interact. energy: -0.000 local terms energy: -21.673437 where: bonds (distance) C4'-P energy: -3.490 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.783 flat angles P-C4'-P energy: -3.466 tors. eta vs tors. theta energy: -4.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -20.966568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.966568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.966568 (E_RNA) where: Base-Base interactions energy: -5.364 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.064 local terms energy: -15.537985 where: bonds (distance) C4'-P energy: -2.087 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -3.440 tors. eta vs tors. theta energy: 1.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -20.245114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.245114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.245114 (E_RNA) where: Base-Base interactions energy: -0.869 where: short stacking energy: 0.640 Base-Backbone interact. energy: -0.000 local terms energy: -19.375647 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -3.616 tors. eta vs tors. theta energy: -1.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -22.124413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.124413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.124413 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.780 local terms energy: -21.344640 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.118 flat angles P-C4'-P energy: -4.768 tors. eta vs tors. theta energy: -0.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -19.529950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.529950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.529950 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -19.523957 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.099 flat angles P-C4'-P energy: -1.570 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: 9 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -21.143621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.143621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.143621 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -21.140157 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.539 flat angles P-C4'-P energy: -4.170 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: 8, replica: 8 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -19.646674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.646674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.646674 (E_RNA) where: Base-Base interactions energy: -1.972 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -17.666687 where: bonds (distance) C4'-P energy: -3.545 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.059 flat angles P-C4'-P energy: -3.501 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: 4 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -19.623943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.623943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.623943 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -19.527959 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -5.230 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: -0.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -18.909966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.909966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.909966 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.110 local terms energy: -18.799919 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -4.627 tors. eta vs tors. theta energy: 2.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -23.027211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.027211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.027211 (E_RNA) where: Base-Base interactions energy: -9.993 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.189 local terms energy: -12.844766 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.548 flat angles P-C4'-P energy: -1.349 tors. eta vs tors. theta energy: 3.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -20.774775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.774775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.774775 (E_RNA) where: Base-Base interactions energy: -3.151 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -17.622850 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.545 flat angles P-C4'-P energy: -3.568 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: 3, replica: 2 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -21.515774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.515774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.515774 (E_RNA) where: Base-Base interactions energy: -0.697 where: short stacking energy: 0.254 Base-Backbone interact. energy: -0.111 local terms energy: -20.707114 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -4.451 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: 4, replica: 6 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -20.852125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.852125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.852125 (E_RNA) where: Base-Base interactions energy: -4.218 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.042 local terms energy: -16.592069 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.189 flat angles P-C4'-P energy: -2.450 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: 5, replica: 10 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -19.108402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.108402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.108402 (E_RNA) where: Base-Base interactions energy: -2.986 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.065 local terms energy: -16.057615 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -5.736 flat angles P-C4'-P energy: -0.985 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: 6, replica: 9 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -20.371785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.371785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.371785 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -20.351995 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.581 flat angles P-C4'-P energy: -3.055 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: 7, replica: 5 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -20.047259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.047259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.047259 (E_RNA) where: Base-Base interactions energy: -1.693 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.465 local terms energy: -17.889023 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.997 flat angles P-C4'-P energy: -2.427 tors. eta vs tors. theta energy: -0.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -19.421092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.421092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.421092 (E_RNA) where: Base-Base interactions energy: -1.985 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.081 local terms energy: -17.354445 where: bonds (distance) C4'-P energy: -4.281 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.138 flat angles P-C4'-P energy: -2.728 tors. eta vs tors. theta energy: 0.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -19.991738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.991738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.991738 (E_RNA) where: Base-Base interactions energy: 0.826 where: short stacking energy: 0.826 Base-Backbone interact. energy: -0.000 local terms energy: -20.817496 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -3.789 flat angles C4'-P-C4' energy: -5.029 flat angles P-C4'-P energy: -4.047 tors. eta vs tors. theta energy: -2.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -18.669883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.669883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.669883 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.060 local terms energy: -18.610334 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.329 flat angles P-C4'-P energy: -2.217 tors. eta vs tors. theta energy: -1.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -23.178273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.178273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.178273 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -23.165859 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -4.276 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: 7 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -21.100159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.100159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.100159 (E_RNA) where: Base-Base interactions energy: 0.240 where: short stacking energy: 0.240 Base-Backbone interact. energy: -0.000 local terms energy: -21.339651 where: bonds (distance) C4'-P energy: -4.124 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.134 flat angles P-C4'-P energy: -4.253 tors. eta vs tors. theta energy: -3.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -23.329070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.329070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.329070 (E_RNA) where: Base-Base interactions energy: -3.861 where: short stacking energy: 0.731 Base-Backbone interact. energy: -0.163 local terms energy: -19.304277 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -1.930 tors. eta vs tors. theta energy: -1.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -22.387169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.387169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.387169 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -22.386205 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.785 flat angles P-C4'-P energy: -4.004 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: 9 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -22.074815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.074815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.074815 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.074555 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.670 flat angles P-C4'-P energy: -4.265 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: 6, replica: 10 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -20.737827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.737827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.737827 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.737667 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.011 flat angles P-C4'-P energy: -4.543 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: 7, replica: 4 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -19.373246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.373246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.373246 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.373246 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.460 flat angles C4'-P-C4' energy: -4.202 flat angles P-C4'-P energy: -4.602 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: 5 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -22.116254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.116254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.116254 (E_RNA) where: Base-Base interactions energy: -5.492 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.048 local terms energy: -16.575638 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -2.856 tors. eta vs tors. theta energy: 1.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -18.341386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.341386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.341386 (E_RNA) where: Base-Base interactions energy: -3.519 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -14.821105 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -3.761 flat angles C4'-P-C4' energy: -3.917 flat angles P-C4'-P energy: -2.605 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: 8 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -21.036990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.036990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.036990 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.104 local terms energy: -20.933309 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -3.705 tors. eta vs tors. theta energy: -2.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -21.357719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.357719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.357719 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -21.351304 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -3.203 tors. eta vs tors. theta energy: -2.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -22.140190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.140190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.140190 (E_RNA) where: Base-Base interactions energy: -0.273 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.866468 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.699 flat angles P-C4'-P energy: -4.130 tors. eta vs tors. theta energy: -2.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -21.212922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.212922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.212922 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -21.207821 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.541 flat angles P-C4'-P energy: -4.365 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: 4, replica: 9 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -20.591406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.591406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.591406 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -20.532456 where: bonds (distance) C4'-P energy: -3.784 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.349 flat angles P-C4'-P energy: -4.323 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: 5, replica: 2 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -21.012007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.012007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.012007 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.113 local terms energy: -20.898693 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -5.401 flat angles P-C4'-P energy: -4.254 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: 6, replica: 4 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -20.749752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.749752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.749752 (E_RNA) where: Base-Base interactions energy: -1.539 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.239 local terms energy: -18.972535 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.249 flat angles P-C4'-P energy: -3.060 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: 7, replica: 10 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -20.259193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.259193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.259193 (E_RNA) where: Base-Base interactions energy: -4.230 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.089 local terms energy: -15.939469 where: bonds (distance) C4'-P energy: -4.431 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -1.942 flat angles P-C4'-P energy: -3.268 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: 8, replica: 3 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -19.399117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.399117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.399117 (E_RNA) where: Base-Base interactions energy: -3.916 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.818 local terms energy: -16.300716 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.253 flat angles P-C4'-P energy: -3.003 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: 5 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -19.585893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.585893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.585893 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -19.486048 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -2.940 tors. eta vs tors. theta energy: -1.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -23.231817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.231817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.231817 (E_RNA) where: Base-Base interactions energy: -5.003 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.076 local terms energy: -18.152904 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -3.337 flat angles P-C4'-P energy: -4.395 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: 6 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -22.920251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.920251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.920251 (E_RNA) where: Base-Base interactions energy: -5.660 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.195 local terms energy: -17.065616 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.627 flat angles P-C4'-P energy: -3.988 tors. eta vs tors. theta energy: 1.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -22.642428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.642428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.642428 (E_RNA) where: Base-Base interactions energy: 0.313 where: short stacking energy: 0.313 Base-Backbone interact. energy: -0.003 local terms energy: -22.952443 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -4.220 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: 3, replica: 9 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -21.161512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.161512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.161512 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.269 local terms energy: -20.892676 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.401 flat angles P-C4'-P energy: -4.123 tors. eta vs tors. theta energy: -1.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -20.969900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.969900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.969900 (E_RNA) where: Base-Base interactions energy: -3.786 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.045 local terms energy: -17.138288 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.768 flat angles P-C4'-P energy: -4.664 tors. eta vs tors. theta energy: 2.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -23.032506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.032506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.032506 (E_RNA) where: Base-Base interactions energy: -5.580 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.043 local terms energy: -17.409266 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: -1.443 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: 6, replica: 2 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -20.474559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.474559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.474559 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.058 local terms energy: -19.416652 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.512 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: -0.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -18.745229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.745229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.745229 (E_RNA) where: Base-Base interactions energy: 0.354 where: short stacking energy: 0.354 Base-Backbone interact. energy: -0.000 local terms energy: -19.098591 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -3.222 flat angles P-C4'-P energy: -2.415 tors. eta vs tors. theta energy: -2.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -20.508245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.508245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.508245 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.507912 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.431 flat angles P-C4'-P energy: -3.869 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: 8 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -19.888534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.888534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.888534 (E_RNA) where: Base-Base interactions energy: -4.283 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.063 local terms energy: -15.668458 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.263 flat angles P-C4'-P energy: -3.257 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: 10, replica: 5 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -19.336435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.336435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.336435 (E_RNA) where: Base-Base interactions energy: -1.561 where: short stacking energy: 0.161 Base-Backbone interact. energy: 0.046 local terms energy: -17.820876 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.214 flat angles P-C4'-P energy: -4.066 tors. eta vs tors. theta energy: 0.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -22.045256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.045256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.045256 (E_RNA) where: Base-Base interactions energy: 0.570 where: short stacking energy: 0.570 Base-Backbone interact. energy: -0.000 local terms energy: -22.615063 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.087 flat angles P-C4'-P energy: -4.668 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: 2, replica: 9 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -24.723403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.723403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.723403 (E_RNA) where: Base-Base interactions energy: -6.247 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.580 local terms energy: -17.895889 where: bonds (distance) C4'-P energy: -5.312 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.462 flat angles P-C4'-P energy: -3.995 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: 3, replica: 1 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -20.634397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.634397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.634397 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.634396 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -2.637 flat angles P-C4'-P energy: -2.763 tors. eta vs tors. theta energy: -4.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -22.668449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.668449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.668449 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.668446 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.813 flat angles P-C4'-P energy: -3.534 tors. eta vs tors. theta energy: -3.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -20.245690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.245690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.245690 (E_RNA) where: Base-Base interactions energy: 0.758 where: short stacking energy: 0.758 Base-Backbone interact. energy: -0.000 local terms energy: -21.003185 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -2.400 flat angles P-C4'-P energy: -4.058 tors. eta vs tors. theta energy: -3.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -20.223521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.223521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.223521 (E_RNA) where: Base-Base interactions energy: -5.108 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.046 local terms energy: -15.069252 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.139 flat angles P-C4'-P energy: -3.173 tors. eta vs tors. theta energy: 1.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -20.369859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.369859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.369859 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.369766 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.780 flat angles C4'-P-C4' energy: -5.295 flat angles P-C4'-P energy: -2.758 tors. eta vs tors. theta energy: -2.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -20.033453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.033453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.033453 (E_RNA) where: Base-Base interactions energy: -0.857 where: short stacking energy: 0.581 Base-Backbone interact. energy: -0.002 local terms energy: -19.174838 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -2.334 tors. eta vs tors. theta energy: -0.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -19.280822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.280822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.280822 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.280815 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.476 flat angles C4'-P-C4' energy: -1.407 flat angles P-C4'-P energy: -4.128 tors. eta vs tors. theta energy: -3.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -19.264626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.264626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.264626 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.123 local terms energy: -19.141131 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.776 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -3.886 tors. eta vs tors. theta energy: -0.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -21.341421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.341421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.341421 (E_RNA) where: Base-Base interactions energy: -3.415 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.050 local terms energy: -17.876730 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.645 flat angles P-C4'-P energy: -2.740 tors. eta vs tors. theta energy: 0.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -20.607628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.607628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.607628 (E_RNA) where: Base-Base interactions energy: 0.235 where: short stacking energy: 0.235 Base-Backbone interact. energy: -0.092 local terms energy: -20.750914 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -3.891 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: 4 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -22.126586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.126586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.126586 (E_RNA) where: Base-Base interactions energy: -1.744 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.048 local terms energy: -20.333745 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.804 flat angles P-C4'-P energy: -3.819 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: 4, replica: 1 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -21.717217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.717217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.717217 (E_RNA) where: Base-Base interactions energy: 0.086 where: short stacking energy: 0.086 Base-Backbone interact. energy: -0.000 local terms energy: -21.803385 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -4.470 flat angles C4'-P-C4' energy: -4.670 flat angles P-C4'-P energy: -3.579 tors. eta vs tors. theta energy: -4.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -21.834924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.834924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.834924 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.834158 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.871 flat angles P-C4'-P energy: -3.925 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: 6, replica: 7 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -21.758669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.758669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.758669 (E_RNA) where: Base-Base interactions energy: 0.401 where: short stacking energy: 0.401 Base-Backbone interact. energy: -0.000 local terms energy: -22.159203 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -2.663 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: 7, replica: 8 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -18.671591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.671591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.671591 (E_RNA) where: Base-Base interactions energy: -3.257 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.219 local terms energy: -15.196084 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.002 flat angles P-C4'-P energy: -4.523 tors. eta vs tors. theta energy: 2.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -20.285577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.285577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.285577 (E_RNA) where: Base-Base interactions energy: -2.803 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.172 local terms energy: -17.310574 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.164 flat angles P-C4'-P energy: -2.825 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: 9, replica: 5 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -19.263518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.263518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.263518 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.024 local terms energy: -19.239739 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.290 flat angles C4'-P-C4' energy: -5.254 flat angles P-C4'-P energy: -2.778 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: 10, replica: 10 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -19.044120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.044120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.044120 (E_RNA) where: Base-Base interactions energy: -3.597 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.250 local terms energy: -15.197180 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.545 flat angles P-C4'-P energy: -2.505 tors. eta vs tors. theta energy: 0.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -21.816687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.816687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.816687 (E_RNA) where: Base-Base interactions energy: -4.616 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.043 local terms energy: -17.157165 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.190 flat angles P-C4'-P energy: -4.088 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: 4 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -22.271620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.271620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.271620 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -2.854 local terms energy: -19.417180 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -4.626 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: -0.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -21.912565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.912565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.912565 (E_RNA) where: Base-Base interactions energy: -4.368 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.175 local terms energy: -17.370499 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.560 flat angles P-C4'-P energy: -2.902 tors. eta vs tors. theta energy: 1.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -21.352742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.352742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.352742 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.352740 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -4.244 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: 5, replica: 1 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -20.473895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.473895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.473895 (E_RNA) where: Base-Base interactions energy: -1.127 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.039 local terms energy: -19.307715 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.289 flat angles P-C4'-P energy: -3.146 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: 6, replica: 7 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -19.977129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.977129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.977129 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.647 local terms energy: -19.330467 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.957 flat angles P-C4'-P energy: -4.154 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: 8 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -21.931648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.931648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.931648 (E_RNA) where: Base-Base interactions energy: -2.125 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.142 local terms energy: -19.664254 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.943 flat angles P-C4'-P energy: -4.105 tors. eta vs tors. theta energy: 0.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -18.516155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.516155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.516155 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.515770 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -2.977 flat angles P-C4'-P energy: -2.545 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: 381 Temperature: 1.300000 Total energy: -19.513812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.513812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.513812 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.513477 where: bonds (distance) C4'-P energy: -4.948 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -3.920 tors. eta vs tors. theta energy: -0.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -18.947450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.947450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.947450 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.079 local terms energy: -18.868868 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -3.818 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: 4 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -21.180509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.180509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.180509 (E_RNA) where: Base-Base interactions energy: 0.187 where: short stacking energy: 0.187 Base-Backbone interact. energy: -0.000 local terms energy: -21.367770 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.893 flat angles P-C4'-P energy: -4.172 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: 2, replica: 9 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -20.555780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.555780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.555780 (E_RNA) where: Base-Base interactions energy: 0.573 where: short stacking energy: 0.573 Base-Backbone interact. energy: -0.001 local terms energy: -21.127264 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.998 flat angles C4'-P-C4' energy: -5.353 flat angles P-C4'-P energy: -3.374 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: 3, replica: 3 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -19.768212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.768212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.768212 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.762771 where: bonds (distance) C4'-P energy: -4.273 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.286 flat angles P-C4'-P energy: -1.976 tors. eta vs tors. theta energy: -2.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -20.787077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.787077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.787077 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.780737 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -4.359 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: 5, replica: 7 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -22.114292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.114292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.114292 (E_RNA) where: Base-Base interactions energy: -4.418 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.174 local terms energy: -17.522828 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.618 flat angles P-C4'-P energy: -4.553 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: 6, replica: 1 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -21.777434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.777434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.777434 (E_RNA) where: Base-Base interactions energy: 0.067 where: short stacking energy: 0.067 Base-Backbone interact. energy: -0.000 local terms energy: -21.844599 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.761 flat angles P-C4'-P energy: -4.409 tors. eta vs tors. theta energy: -3.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -18.223087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.223087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.223087 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.036 local terms energy: -18.187381 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -2.776 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: 8 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -19.184681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.184681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.184681 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.179554 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -3.504 tors. eta vs tors. theta energy: -1.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -18.777590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.777590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.777590 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.065 local terms energy: -18.713017 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.719 flat angles P-C4'-P energy: -3.917 tors. eta vs tors. theta energy: 0.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -20.830989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.830989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.830989 (E_RNA) where: Base-Base interactions energy: 0.721 where: short stacking energy: 0.721 Base-Backbone interact. energy: -0.004 local terms energy: -21.548215 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -4.243 tors. eta vs tors. theta energy: -0.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -22.034820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.034820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.034820 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -22.032312 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.781 flat angles P-C4'-P energy: -4.646 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: 3 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -22.486082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.486082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.486082 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -22.482197 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.073 flat angles P-C4'-P energy: -4.221 tors. eta vs tors. theta energy: -1.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -22.655778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.655778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.655778 (E_RNA) where: Base-Base interactions energy: -4.658 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.055 local terms energy: -17.942407 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -2.666 tors. eta vs tors. theta energy: 0.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -20.553477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.553477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.553477 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.109 local terms energy: -20.444344 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.291 flat angles P-C4'-P energy: -4.476 tors. eta vs tors. theta energy: 0.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -20.097004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.097004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.097004 (E_RNA) where: Base-Base interactions energy: 0.127 where: short stacking energy: 1.040 Base-Backbone interact. energy: -0.001 local terms energy: -20.222415 where: bonds (distance) C4'-P energy: -2.560 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.208 flat angles P-C4'-P energy: -4.076 tors. eta vs tors. theta energy: -4.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -22.369060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.369060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.369060 (E_RNA) where: Base-Base interactions energy: -1.645 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.058 local terms energy: -19.666353 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: -4.166 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: 7, replica: 1 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -19.899905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.899905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.899905 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -19.891008 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.293 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -0.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -19.062096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.062096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.062096 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.065 local terms energy: -18.997414 where: bonds (distance) C4'-P energy: -3.553 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.431 flat angles P-C4'-P energy: -2.898 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: 9, replica: 8 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -18.501656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.501656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.501656 (E_RNA) where: Base-Base interactions energy: -3.691 where: short stacking energy: 0.383 Base-Backbone interact. energy: -0.186 local terms energy: -14.625263 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -3.991 flat angles C4'-P-C4' energy: -4.367 flat angles P-C4'-P energy: -2.348 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: 2 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -19.290709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.290709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.290709 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.286222 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -1.787 tors. eta vs tors. theta energy: -1.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -22.316881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.316881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.316881 (E_RNA) where: Base-Base interactions energy: 0.778 where: short stacking energy: 0.778 Base-Backbone interact. energy: -0.001 local terms energy: -23.094238 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.844 flat angles P-C4'-P energy: -3.963 tors. eta vs tors. theta energy: -2.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -23.146367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.146367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.146367 (E_RNA) where: Base-Base interactions energy: -5.393 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.056 local terms energy: -17.697286 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -4.059 flat angles P-C4'-P energy: -4.080 tors. eta vs tors. theta energy: 1.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -22.274984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.274984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.274984 (E_RNA) where: Base-Base interactions energy: -5.278 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -16.979916 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.966 flat angles P-C4'-P energy: -3.326 tors. eta vs tors. theta energy: 1.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -19.939153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.939153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.939153 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.737 local terms energy: -19.202005 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.296 flat angles P-C4'-P energy: -4.254 tors. eta vs tors. theta energy: -1.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -20.641042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.641042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.641042 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.640830 where: bonds (distance) C4'-P energy: -3.288 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.673 flat angles P-C4'-P energy: -4.398 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: 6 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -21.352900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.352900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.352900 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.352792 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.170 flat angles P-C4'-P energy: -2.016 tors. eta vs tors. theta energy: -3.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -23.002451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.002451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.002451 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -23.001824 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.774 flat angles P-C4'-P energy: -4.433 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: 8, replica: 1 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -19.585688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.585688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.585688 (E_RNA) where: Base-Base interactions energy: 0.424 where: short stacking energy: 0.424 Base-Backbone interact. energy: -0.000 local terms energy: -20.009985 where: bonds (distance) C4'-P energy: -2.691 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.802 flat angles P-C4'-P energy: -3.887 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: 9, replica: 2 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -19.271866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.271866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.271866 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.271865 where: bonds (distance) C4'-P energy: -4.315 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -2.944 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: 8 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -18.357832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.357832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.357832 (E_RNA) where: Base-Base interactions energy: -0.719 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.038 local terms energy: -17.600775 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.545 flat angles P-C4'-P energy: -3.573 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: 385 Temperature: 0.900000 Total energy: -22.075901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.075901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.075901 (E_RNA) where: Base-Base interactions energy: -1.835 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -20.217399 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.979 flat angles P-C4'-P energy: -4.416 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: 2, replica: 7 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -21.879258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.879258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.879258 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.081 local terms energy: -21.798183 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.830 flat angles P-C4'-P energy: -4.136 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: 3, replica: 4 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -20.804916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.804916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.804916 (E_RNA) where: Base-Base interactions energy: -1.200 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.076 local terms energy: -19.529037 where: bonds (distance) C4'-P energy: -4.761 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -4.012 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: 4, replica: 5 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -22.479004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.479004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.479004 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.479002 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.230 flat angles P-C4'-P energy: -4.256 tors. eta vs tors. theta energy: -3.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -19.946228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.946228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.946228 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.113 local terms energy: -19.833696 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.894 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: 6, replica: 10 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -21.060735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.060735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.060735 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.510 local terms energy: -20.550639 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.331 flat angles P-C4'-P energy: -4.220 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: 7, replica: 6 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -19.263235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.263235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.263235 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.263181 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.311 flat angles P-C4'-P energy: -2.505 tors. eta vs tors. theta energy: -0.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -19.744259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.744259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.744259 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.744229 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.220 flat angles P-C4'-P energy: -4.058 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: 9, replica: 1 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -20.547344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.547344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.547344 (E_RNA) where: Base-Base interactions energy: 0.351 where: short stacking energy: 0.351 Base-Backbone interact. energy: -0.000 local terms energy: -20.898487 where: bonds (distance) C4'-P energy: -1.971 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -4.730 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: 10, replica: 8 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -19.019172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.019172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.019172 (E_RNA) where: Base-Base interactions energy: -0.262 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.755770 where: bonds (distance) C4'-P energy: -4.207 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.033 flat angles P-C4'-P energy: -3.138 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: 7 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -22.369652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.369652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.369652 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -22.275368 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.963 flat angles P-C4'-P energy: -3.948 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: 2, replica: 3 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -23.878746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.878746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.878746 (E_RNA) where: Base-Base interactions energy: -4.547 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.399 local terms energy: -18.933108 where: bonds (distance) C4'-P energy: -3.896 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -4.775 flat angles P-C4'-P energy: -3.631 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: 3, replica: 5 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -23.795515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.795515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.795515 (E_RNA) where: Base-Base interactions energy: -4.594 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.294 local terms energy: -18.908139 where: bonds (distance) C4'-P energy: -3.615 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -3.396 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: 4, replica: 4 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -20.424583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.424583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.424583 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.424477 where: bonds (distance) C4'-P energy: -3.784 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -4.325 tors. eta vs tors. theta energy: -1.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -21.329281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.329281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.329281 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.042 local terms energy: -21.287028 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -4.553 tors. eta vs tors. theta energy: -1.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -19.457728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.457728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.457728 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -19.390710 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -4.957 flat angles P-C4'-P energy: -3.545 tors. eta vs tors. theta energy: -0.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -20.319370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.319370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.319370 (E_RNA) where: Base-Base interactions energy: -2.823 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -17.481354 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.407 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: 1.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -20.170048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.170048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.170048 (E_RNA) where: Base-Base interactions energy: -2.216 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -17.892771 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -4.855 flat angles P-C4'-P energy: -2.199 tors. eta vs tors. theta energy: -0.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -19.008485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.008485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.008485 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -18.910675 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.586 flat angles P-C4'-P energy: -4.066 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: 10, replica: 1 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -21.754163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.754163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.754163 (E_RNA) where: Base-Base interactions energy: -3.742 where: short stacking energy: 0.967 Base-Backbone interact. energy: -0.005 local terms energy: -18.007153 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -3.844 flat angles P-C4'-P energy: -4.466 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: 1, replica: 7 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -22.011067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.011067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.011067 (E_RNA) where: Base-Base interactions energy: 0.365 where: short stacking energy: 0.365 Base-Backbone interact. energy: -0.002 local terms energy: -22.374160 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -3.289 tors. eta vs tors. theta energy: -1.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -21.010071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.010071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.010071 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.009997 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.068 flat angles P-C4'-P energy: -3.005 tors. eta vs tors. theta energy: -2.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -21.453910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.453910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.453910 (E_RNA) where: Base-Base interactions energy: -4.515 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.086 local terms energy: -16.852833 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.994 flat angles P-C4'-P energy: -4.038 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: 10 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -20.193423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.193423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.193423 (E_RNA) where: Base-Base interactions energy: -1.128 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.200 local terms energy: -18.865331 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.691 flat angles P-C4'-P energy: -3.655 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: 4 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -21.727850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.727850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.727850 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -21.668873 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.594 flat angles P-C4'-P energy: -4.724 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: 6, replica: 2 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -22.383998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.383998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.383998 (E_RNA) where: Base-Base interactions energy: -4.039 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.425 local terms energy: -17.919940 where: bonds (distance) C4'-P energy: -4.869 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.888 flat angles P-C4'-P energy: -3.621 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: 7, replica: 9 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -19.366871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.366871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.366871 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -19.360450 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.449 flat angles P-C4'-P energy: -4.656 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: 8, replica: 8 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -20.141002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.141002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.141002 (E_RNA) where: Base-Base interactions energy: -4.785 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.015 local terms energy: -15.371185 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.378 flat angles P-C4'-P energy: -0.449 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: 6 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -19.040838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.040838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.040838 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.040336 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.850 flat angles P-C4'-P energy: -4.217 tors. eta vs tors. theta energy: 0.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -19.400390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.400390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.400390 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -19.305447 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -3.628 flat angles P-C4'-P energy: -2.526 tors. eta vs tors. theta energy: -2.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -25.272707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.272707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.272707 (E_RNA) where: Base-Base interactions energy: -5.172 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.100188 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -2.031 flat angles P-C4'-P energy: -4.006 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: 2, replica: 7 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -21.754247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.754247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.754247 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.754094 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.710 flat angles P-C4'-P energy: -4.177 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: 3, replica: 10 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -22.901542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.901542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.901542 (E_RNA) where: Base-Base interactions energy: -5.184 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.112 local terms energy: -17.605509 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.327 flat angles P-C4'-P energy: -3.923 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: 4, replica: 3 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -20.568170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.568170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.568170 (E_RNA) where: Base-Base interactions energy: -4.668 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.304 local terms energy: -15.596213 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -2.130 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: 5, replica: 2 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -21.793320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.793320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.793320 (E_RNA) where: Base-Base interactions energy: -0.577 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.295 local terms energy: -20.921396 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.661 flat angles P-C4'-P energy: -2.755 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: 6, replica: 4 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -20.754719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.754719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.754719 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.079 local terms energy: -20.675963 where: bonds (distance) C4'-P energy: -4.733 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -2.840 tors. eta vs tors. theta energy: -2.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -20.231182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.231182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.231182 (E_RNA) where: Base-Base interactions energy: 0.508 where: short stacking energy: 0.508 Base-Backbone interact. energy: -0.029 local terms energy: -20.710250 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.062 flat angles P-C4'-P energy: -3.156 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: 8, replica: 9 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -18.193422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.193422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.193422 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.040 local terms energy: -18.153765 where: bonds (distance) C4'-P energy: -4.989 bonds (distance) P-C4' energy: -4.780 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: -2.874 tors. eta vs tors. theta energy: -0.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -18.763485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.763485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.763485 (E_RNA) where: Base-Base interactions energy: 0.001 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.442 local terms energy: -18.322279 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.297 flat angles P-C4'-P energy: -3.631 tors. eta vs tors. theta energy: 0.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -18.504771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.504771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.504771 (E_RNA) where: Base-Base interactions energy: -0.145 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.359447 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -0.119 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: 1, replica: 5 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -21.733691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.733691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.733691 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -21.723533 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -4.209 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: 2, replica: 10 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -19.702540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.702540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.702540 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -19.618275 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.227 flat angles P-C4'-P energy: -4.676 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: 3, replica: 7 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -21.447717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.447717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.447717 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -21.434826 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.964 flat angles P-C4'-P energy: -2.975 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: 4, replica: 3 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -23.695648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.695648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.695648 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.695505 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.045 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: -4.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -19.037068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.037068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.037068 (E_RNA) where: Base-Base interactions energy: -0.125 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.912483 where: bonds (distance) C4'-P energy: -3.545 bonds (distance) P-C4' energy: -3.997 flat angles C4'-P-C4' energy: -4.587 flat angles P-C4'-P energy: -1.979 tors. eta vs tors. theta energy: -4.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -20.545740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.545740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.545740 (E_RNA) where: Base-Base interactions energy: -1.234 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -19.303988 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.907 flat angles P-C4'-P energy: -3.128 tors. eta vs tors. theta energy: -1.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -20.575608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.575608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.575608 (E_RNA) where: Base-Base interactions energy: -1.162 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.412084 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -3.203 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: 8, replica: 1 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -20.471157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.471157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.471157 (E_RNA) where: Base-Base interactions energy: -2.471 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -17.902308 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.768 flat angles P-C4'-P energy: -2.434 tors. eta vs tors. theta energy: -0.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -22.070100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.070100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.070100 (E_RNA) where: Base-Base interactions energy: -1.436 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.633742 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -4.452 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -4.617 tors. eta vs tors. theta energy: -1.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -19.982121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.982121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.982121 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.982066 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.652 flat angles P-C4'-P energy: -2.141 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: 1, replica: 10 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -22.067209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.067209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.067209 (E_RNA) where: Base-Base interactions energy: -4.866 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -17.134201 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.397 flat angles P-C4'-P energy: -3.040 tors. eta vs tors. theta energy: 1.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -22.706435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.706435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.706435 (E_RNA) where: Base-Base interactions energy: -4.965 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.072 local terms energy: -17.669541 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.480 flat angles P-C4'-P energy: -4.036 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: 3, replica: 3 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -20.502490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.502490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.502490 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.501185 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -3.670 tors. eta vs tors. theta energy: -0.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -19.419996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.419996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.419996 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.418154 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -4.514 tors. eta vs tors. theta energy: 0.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -19.939664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.939664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.939664 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -19.912335 where: bonds (distance) C4'-P energy: -3.669 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -4.519 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: 6, replica: 2 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -20.839475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.839475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.839475 (E_RNA) where: Base-Base interactions energy: -5.178 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.148 local terms energy: -15.808693 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.895 flat angles P-C4'-P energy: -3.515 tors. eta vs tors. theta energy: 3.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -21.267597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.267597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.267597 (E_RNA) where: Base-Base interactions energy: -3.741 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.087 local terms energy: -17.439769 where: bonds (distance) C4'-P energy: -4.244 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -3.372 flat angles P-C4'-P energy: -4.580 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: 4 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -20.196698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.196698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.196698 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.016 local terms energy: -20.212705 where: bonds (distance) C4'-P energy: -3.366 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.753 flat angles P-C4'-P energy: -4.457 tors. eta vs tors. theta energy: -2.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -19.213894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.213894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.213894 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.079 local terms energy: -19.134960 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.452 flat angles C4'-P-C4' energy: -3.305 flat angles P-C4'-P energy: -4.259 tors. eta vs tors. theta energy: -1.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -20.517631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.517631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.517631 (E_RNA) where: Base-Base interactions energy: -1.794 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.722939 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -4.396 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: 1, replica: 10 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -20.727045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.727045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.727045 (E_RNA) where: Base-Base interactions energy: -3.270 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -17.456562 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.029 flat angles C4'-P-C4' energy: -5.008 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: 1.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -21.202139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.202139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.202139 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.107 local terms energy: -21.095625 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -5.349 flat angles P-C4'-P energy: -4.342 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: 3, replica: 5 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -20.732746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.732746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.732746 (E_RNA) where: Base-Base interactions energy: -1.069 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.056 local terms energy: -19.607994 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -3.575 flat angles P-C4'-P energy: -4.325 tors. eta vs tors. theta energy: -2.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -20.625819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.625819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.625819 (E_RNA) where: Base-Base interactions energy: -1.100 where: short stacking energy: 0.855 Base-Backbone interact. energy: -0.000 local terms energy: -19.525578 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -1.810 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: 5, replica: 8 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -21.737871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.737871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.737871 (E_RNA) where: Base-Base interactions energy: -4.510 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.025 local terms energy: -17.202048 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.022 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -2.255 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: 6, replica: 1 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -21.833477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.833477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.833477 (E_RNA) where: Base-Base interactions energy: -3.071 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.151 local terms energy: -18.611489 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.221 flat angles P-C4'-P energy: -4.358 tors. eta vs tors. theta energy: 0.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -19.013672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.013672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.013672 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.012174 where: bonds (distance) C4'-P energy: -2.957 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.289 flat angles P-C4'-P energy: -4.251 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: 8, replica: 6 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -18.917621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.917621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.917621 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.046 local terms energy: -18.871393 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -4.725 flat angles P-C4'-P energy: -2.521 tors. eta vs tors. theta energy: -2.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -20.772436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.772436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.772436 (E_RNA) where: Base-Base interactions energy: -3.433 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -17.336969 where: bonds (distance) C4'-P energy: -3.313 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.289 flat angles P-C4'-P energy: -2.560 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: 9 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -18.672351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.672351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.672351 (E_RNA) where: Base-Base interactions energy: -2.870 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.775 local terms energy: -16.577560 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -5.220 flat angles P-C4'-P energy: -3.617 tors. eta vs tors. theta energy: 2.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -22.108261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.108261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.108261 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -22.105266 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -4.017 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: 2, replica: 10 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -22.315179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.315179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.315179 (E_RNA) where: Base-Base interactions energy: -5.781 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.060 local terms energy: -16.474626 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -3.360 tors. eta vs tors. theta energy: 3.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -20.206982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.206982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.206982 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.032 local terms energy: -20.174684 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.638 flat angles P-C4'-P energy: -4.437 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: 5 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -20.464906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.464906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.464906 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.204 local terms energy: -19.261342 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.857 flat angles P-C4'-P energy: -4.490 tors. eta vs tors. theta energy: 1.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -20.235772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.235772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.235772 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -20.218923 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.607 flat angles P-C4'-P energy: -3.958 tors. eta vs tors. theta energy: -2.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -20.040418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.040418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.040418 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.037 local terms energy: -20.303450 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.351 flat angles P-C4'-P energy: -4.089 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: 7, replica: 6 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -20.792574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.792574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.792574 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -20.784231 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -5.382 flat angles P-C4'-P energy: -3.854 tors. eta vs tors. theta energy: -1.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -18.932821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.932821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.932821 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.105 local terms energy: -18.828002 where: bonds (distance) C4'-P energy: -3.694 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.011 flat angles P-C4'-P energy: -3.403 tors. eta vs tors. theta energy: -0.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -20.717546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.717546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.717546 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.713658 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -4.533 tors. eta vs tors. theta energy: 0.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -19.709434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.709434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.709434 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.070 local terms energy: -19.639483 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.782 flat angles C4'-P-C4' energy: -4.132 flat angles P-C4'-P energy: -4.513 tors. eta vs tors. theta energy: -1.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -21.784887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.784887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.784887 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.784694 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -4.072 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: 2, replica: 7 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -22.650241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.650241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.650241 (E_RNA) where: Base-Base interactions energy: 0.434 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.083557 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -3.982 tors. eta vs tors. theta energy: -3.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -20.465194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.465194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.465194 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.465123 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.214 flat angles P-C4'-P energy: -2.759 tors. eta vs tors. theta energy: -2.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -21.044746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.044746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.044746 (E_RNA) where: Base-Base interactions energy: -3.806 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.110 local terms energy: -17.127968 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -2.614 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: 5, replica: 5 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -20.727816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.727816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.727816 (E_RNA) where: Base-Base interactions energy: -2.335 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -18.387132 where: bonds (distance) C4'-P energy: -3.305 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.529 flat angles P-C4'-P energy: -3.890 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: 6, replica: 6 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -21.326079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.326079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.326079 (E_RNA) where: Base-Base interactions energy: -4.519 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -16.793730 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -4.182 flat angles P-C4'-P energy: -3.578 tors. eta vs tors. theta energy: 1.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -19.748099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.748099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.748099 (E_RNA) where: Base-Base interactions energy: -4.218 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.186 local terms energy: -15.344223 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -1.705 flat angles P-C4'-P energy: -2.868 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: 8, replica: 9 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -18.896865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.896865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.896865 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -18.800991 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.229 flat angles P-C4'-P energy: -3.777 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: 9, replica: 2 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -18.451569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.451569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.451569 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.058 local terms energy: -18.393299 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.556 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: 4 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -18.567246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.567246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.567246 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.565109 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -3.824 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: 1, replica: 7 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -21.154681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.154681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.154681 (E_RNA) where: Base-Base interactions energy: -0.910 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.241318 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.766 flat angles P-C4'-P energy: -4.202 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: 3 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -21.514333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.514333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.514333 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -21.487630 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.382 flat angles P-C4'-P energy: -4.420 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: 3, replica: 1 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -20.107292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.107292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.107292 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.105059 where: bonds (distance) C4'-P energy: -4.919 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.657 flat angles P-C4'-P energy: -4.240 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: 4, replica: 10 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -20.585022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.585022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.585022 (E_RNA) where: Base-Base interactions energy: 0.128 where: short stacking energy: 0.128 Base-Backbone interact. energy: -0.001 local terms energy: -20.711521 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -4.123 tors. eta vs tors. theta energy: -1.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -20.789238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.789238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.789238 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.783018 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.857 flat angles P-C4'-P energy: -3.925 tors. eta vs tors. theta energy: -1.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -22.086993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.086993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.086993 (E_RNA) where: Base-Base interactions energy: -4.871 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.152 local terms energy: -17.064519 where: bonds (distance) C4'-P energy: -4.779 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.005 flat angles P-C4'-P energy: -4.264 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: 7, replica: 9 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -18.922116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.922116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.922116 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.922077 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.029 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -2.252 tors. eta vs tors. theta energy: -0.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -21.035784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.035784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.035784 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.035766 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.139 flat angles P-C4'-P energy: -3.949 tors. eta vs tors. theta energy: -3.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -20.654584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.654584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.654584 (E_RNA) where: Base-Base interactions energy: -5.357 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -15.287685 where: bonds (distance) C4'-P energy: -2.427 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -3.695 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: 10, replica: 4 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -18.122298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.122298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.122298 (E_RNA) where: Base-Base interactions energy: -0.511 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.138 local terms energy: -17.473439 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.173 flat angles C4'-P-C4' energy: -5.092 flat angles P-C4'-P energy: -4.541 tors. eta vs tors. theta energy: 1.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -20.802790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.802790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.802790 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.802567 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.556 flat angles P-C4'-P energy: -4.636 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: 2, replica: 1 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -21.353467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.353467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.353467 (E_RNA) where: Base-Base interactions energy: -4.692 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -16.658174 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -2.279 flat angles P-C4'-P energy: -3.509 tors. eta vs tors. theta energy: -1.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -23.231169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.231169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.231169 (E_RNA) where: Base-Base interactions energy: -5.487 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.165 local terms energy: -17.578281 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.084 flat angles P-C4'-P energy: -3.460 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: 6 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -21.382259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.382259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.382259 (E_RNA) where: Base-Base interactions energy: -3.991 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.292 local terms energy: -17.099960 where: bonds (distance) C4'-P energy: -2.825 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -3.059 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: 395 Temperature: 1.100000 Total energy: -20.470119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.470119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.470119 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.470036 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -2.966 flat angles P-C4'-P energy: -3.716 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: 9 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -20.808573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.808573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.808573 (E_RNA) where: Base-Base interactions energy: 0.242 where: short stacking energy: 0.242 Base-Backbone interact. energy: -0.001 local terms energy: -21.049448 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -4.688 flat angles C4'-P-C4' energy: -4.738 flat angles P-C4'-P energy: -3.723 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: 7, replica: 5 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -18.959406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.959406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.959406 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -18.941496 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.379 flat angles P-C4'-P energy: -4.228 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: 8, replica: 2 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -22.189042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.189042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.189042 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -22.188404 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.547 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -2.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -19.868454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.868454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.868454 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -19.838525 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -3.264 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -4.073 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: 4 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -18.428627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.428627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.428627 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.428602 where: bonds (distance) C4'-P energy: -4.315 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -2.807 flat angles P-C4'-P energy: -3.495 tors. eta vs tors. theta energy: -2.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -21.923347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.923347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.923347 (E_RNA) where: Base-Base interactions energy: -2.495 where: short stacking energy: 0.377 Base-Backbone interact. energy: -0.053 local terms energy: -19.376168 where: bonds (distance) C4'-P energy: -3.775 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.990 flat angles P-C4'-P energy: -4.140 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: 7 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -21.564882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.564882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.564882 (E_RNA) where: Base-Base interactions energy: 0.638 where: short stacking energy: 0.638 Base-Backbone interact. energy: -0.000 local terms energy: -22.202250 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.711 flat angles P-C4'-P energy: -4.445 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: 3, replica: 6 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -20.237458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.237458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.237458 (E_RNA) where: Base-Base interactions energy: 0.408 where: short stacking energy: 0.283 Base-Backbone interact. energy: -0.124 local terms energy: -20.521953 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -4.191 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: 4, replica: 3 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -20.264066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.264066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.264066 (E_RNA) where: Base-Base interactions energy: 0.329 where: short stacking energy: 0.329 Base-Backbone interact. energy: -0.007 local terms energy: -20.585616 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -3.459 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: 5, replica: 9 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -21.515306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.515306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.515306 (E_RNA) where: Base-Base interactions energy: -4.608 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.425 local terms energy: -16.482615 where: bonds (distance) C4'-P energy: -3.524 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -3.570 flat angles P-C4'-P energy: -4.465 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: 6, replica: 10 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -24.089470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.089470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.089470 (E_RNA) where: Base-Base interactions energy: -5.440 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -18.552170 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.479 flat angles P-C4'-P energy: -0.761 tors. eta vs tors. theta energy: -3.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -20.630043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.630043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.630043 (E_RNA) where: Base-Base interactions energy: -4.379 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -16.237703 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -1.311 flat angles P-C4'-P energy: -3.825 tors. eta vs tors. theta energy: -1.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -20.025353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.025353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.025353 (E_RNA) where: Base-Base interactions energy: 0.138 where: short stacking energy: 0.138 Base-Backbone interact. energy: -0.100 local terms energy: -20.063052 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -4.962 flat angles P-C4'-P energy: -2.854 tors. eta vs tors. theta energy: -1.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -20.869838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.869838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.869838 (E_RNA) where: Base-Base interactions energy: -4.088 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.177 local terms energy: -16.958251 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -3.638 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -4.292 tors. eta vs tors. theta energy: 0.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -17.871834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.871834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.871834 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -17.871015 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.547 flat angles P-C4'-P energy: -2.619 tors. eta vs tors. theta energy: 0.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -23.366223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.366223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.366223 (E_RNA) where: Base-Base interactions energy: -5.373 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -17.981454 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -4.646 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: 2, replica: 6 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -21.996179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.996179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.996179 (E_RNA) where: Base-Base interactions energy: 0.334 where: short stacking energy: 0.476 Base-Backbone interact. energy: -0.000 local terms energy: -22.329939 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.366 flat angles P-C4'-P energy: -4.743 tors. eta vs tors. theta energy: -2.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -21.427855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.427855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.427855 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.427853 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.762 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: 4, replica: 9 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -22.086328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.086328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.086328 (E_RNA) where: Base-Base interactions energy: -3.623 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.462317 where: bonds (distance) C4'-P energy: -2.496 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.121 flat angles P-C4'-P energy: -3.301 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: 5, replica: 3 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -20.414677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.414677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.414677 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.411383 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -4.751 tors. eta vs tors. theta energy: 0.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -19.216862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.216862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.216862 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.086 local terms energy: -19.131343 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.410 flat angles P-C4'-P energy: -3.754 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: 2 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -20.042707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.042707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.042707 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.042685 where: bonds (distance) C4'-P energy: -1.491 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: -4.662 tors. eta vs tors. theta energy: -2.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -18.948436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.948436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.948436 (E_RNA) where: Base-Base interactions energy: 0.266 where: short stacking energy: 0.266 Base-Backbone interact. energy: -0.019 local terms energy: -19.195375 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.742 flat angles P-C4'-P energy: -2.796 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: 9, replica: 5 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -19.390046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.390046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.390046 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.390041 where: bonds (distance) C4'-P energy: -4.315 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.456 flat angles P-C4'-P energy: -4.188 tors. eta vs tors. theta energy: 0.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -18.383043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.383043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.383043 (E_RNA) where: Base-Base interactions energy: 0.070 where: short stacking energy: 0.070 Base-Backbone interact. energy: -0.073 local terms energy: -18.379647 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -3.165 tors. eta vs tors. theta energy: 0.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -22.695273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.695273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.695273 (E_RNA) where: Base-Base interactions energy: -2.112 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.583201 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.440 flat angles P-C4'-P energy: -4.133 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: 1 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -22.268027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.268027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.268027 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.268007 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.995 flat angles P-C4'-P energy: -2.434 tors. eta vs tors. theta energy: -3.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -21.042153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.042153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.042153 (E_RNA) where: Base-Base interactions energy: -5.425 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.108 local terms energy: -15.509040 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.557 flat angles P-C4'-P energy: -1.347 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: 7 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -20.967096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.967096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.967096 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.051 local terms energy: -20.916322 where: bonds (distance) C4'-P energy: -4.653 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -3.617 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: 5, replica: 10 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -19.692454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.692454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.692454 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.692428 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.634 flat angles P-C4'-P energy: -3.494 tors. eta vs tors. theta energy: -1.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -20.299600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.299600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.299600 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.089 local terms energy: -20.210260 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.736 flat angles P-C4'-P energy: -4.199 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: 4 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -21.634976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.634976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.634976 (E_RNA) where: Base-Base interactions energy: 0.055 where: short stacking energy: 0.055 Base-Backbone interact. energy: -0.872 local terms energy: -20.818125 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -5.063 flat angles P-C4'-P energy: -4.248 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: 2 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -18.866988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.866988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.866988 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.866846 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -4.102 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: 8 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -18.662904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.662904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.662904 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.107 local terms energy: -18.555638 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.233 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -3.775 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: 5 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -18.569968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.569968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.569968 (E_RNA) where: Base-Base interactions energy: -0.090 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.479886 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.859 flat angles P-C4'-P energy: -2.115 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: 6 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -21.094637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.094637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.094637 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.093840 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -4.494 tors. eta vs tors. theta energy: -0.934 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: 9 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -22.162599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.162599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.162599 (E_RNA) where: Base-Base interactions energy: -0.207 where: short stacking energy: 1.146 Base-Backbone interact. energy: -0.002 local terms energy: -21.953450 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -3.761 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: 3, replica: 1 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -21.132850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.132850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.132850 (E_RNA) where: Base-Base interactions energy: -1.687 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.215 local terms energy: -19.231136 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.069 flat angles P-C4'-P energy: -3.958 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: 4, replica: 10 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -20.004266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.004266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.004266 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.039 local terms energy: -19.965298 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.645 flat angles P-C4'-P energy: -3.106 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: 5, replica: 7 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -21.353565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.353565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.353565 (E_RNA) where: Base-Base interactions energy: -3.594 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -17.758991 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -2.939 flat angles P-C4'-P energy: -3.110 tors. eta vs tors. theta energy: -2.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -20.631087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.631087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.631087 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.006 local terms energy: -20.825046 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -4.089 tors. eta vs tors. theta energy: -0.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -19.196585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.196585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.196585 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.195157 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.314 flat angles P-C4'-P energy: -1.356 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: 8 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -18.978953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.978953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.978953 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -18.972788 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -4.228 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: 2 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -20.146490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.146490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.146490 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.146314 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -5.471 flat angles P-C4'-P energy: -3.752 tors. eta vs tors. theta energy: -1.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -19.370402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.370402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.370402 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -19.356872 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.208 flat angles C4'-P-C4' energy: -4.237 flat angles P-C4'-P energy: -4.071 tors. eta vs tors. theta energy: -0.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -22.284589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.284589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.284589 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -22.282997 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -4.617 tors. eta vs tors. theta energy: -1.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -21.480690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.480690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.480690 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -21.385232 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.193 flat angles P-C4'-P energy: -4.129 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: 3, replica: 10 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -20.252117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.252117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.252117 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.251792 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.083 flat angles P-C4'-P energy: -3.330 tors. eta vs tors. theta energy: -1.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -21.749868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.749868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.749868 (E_RNA) where: Base-Base interactions energy: -4.869 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -16.781128 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -4.655 flat angles P-C4'-P energy: -2.893 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: 5, replica: 4 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -21.661394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.661394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.661394 (E_RNA) where: Base-Base interactions energy: 0.615 where: short stacking energy: 0.615 Base-Backbone interact. energy: -0.016 local terms energy: -22.260739 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -4.227 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: 6, replica: 7 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -22.205945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.205945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.205945 (E_RNA) where: Base-Base interactions energy: -5.221 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.024 local terms energy: -16.961112 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -2.269 tors. eta vs tors. theta energy: 1.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -20.000979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.000979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.000979 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -19.993139 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.799 flat angles P-C4'-P energy: -3.960 tors. eta vs tors. theta energy: -1.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -19.560876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.560876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.560876 (E_RNA) where: Base-Base interactions energy: -3.986 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.108 local terms energy: -15.466595 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.445 flat angles P-C4'-P energy: -3.295 tors. eta vs tors. theta energy: 1.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -21.134040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.134040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.134040 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.493 local terms energy: -20.640952 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.886 flat angles P-C4'-P energy: -3.802 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: 10, replica: 2 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -19.528035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.528035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.528035 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -19.498834 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.564 flat angles P-C4'-P energy: -2.957 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: 1, replica: 9 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -22.580740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.580740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.580740 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.157 local terms energy: -22.423467 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -4.512 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: 2, replica: 10 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -22.170369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.170369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.170369 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.170353 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: -3.311 tors. eta vs tors. theta energy: -3.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -20.734805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.734805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.734805 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.114 local terms energy: -20.620985 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -4.011 tors. eta vs tors. theta energy: 0.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -22.348306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.348306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.348306 (E_RNA) where: Base-Base interactions energy: -5.814 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.126 local terms energy: -16.408487 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.935 flat angles P-C4'-P energy: -3.083 tors. eta vs tors. theta energy: 2.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -20.526380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.526380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.526380 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -20.491622 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -4.079 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: 6, replica: 8 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -22.368521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.368521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.368521 (E_RNA) where: Base-Base interactions energy: -2.519 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.164 local terms energy: -19.685986 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -0.445 tors. eta vs tors. theta energy: -3.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -19.679148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.679148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.679148 (E_RNA) where: Base-Base interactions energy: 0.132 where: short stacking energy: 0.132 Base-Backbone interact. energy: -0.020 local terms energy: -19.790925 where: bonds (distance) C4'-P energy: -4.369 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.761 flat angles P-C4'-P energy: -2.629 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: 8, replica: 5 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -19.678491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.678491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.678491 (E_RNA) where: Base-Base interactions energy: -1.902 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.049 local terms energy: -17.727041 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -2.716 flat angles P-C4'-P energy: -1.821 tors. eta vs tors. theta energy: -2.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -20.075163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.075163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.075163 (E_RNA) where: Base-Base interactions energy: -3.367 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -16.672670 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.845 flat angles P-C4'-P energy: -0.417 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: 10, replica: 2 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -20.584793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.584793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.584793 (E_RNA) where: Base-Base interactions energy: 0.203 where: short stacking energy: 0.203 Base-Backbone interact. energy: -0.000 local terms energy: -20.787371 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -2.625 tors. eta vs tors. theta energy: -3.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -22.417146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.417146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.417146 (E_RNA) where: Base-Base interactions energy: -6.563 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.017 local terms energy: -15.871181 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.051 flat angles P-C4'-P energy: -2.257 tors. eta vs tors. theta energy: 0.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -21.638482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.638482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.638482 (E_RNA) where: Base-Base interactions energy: -2.007 where: short stacking energy: 0.067 Base-Backbone interact. energy: -0.000 local terms energy: -19.631851 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -3.254 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: 3, replica: 4 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -20.991565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.991565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.991565 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.210 local terms energy: -19.781899 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -4.554 flat angles P-C4'-P energy: -4.024 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: 6 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -20.705691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.705691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.705691 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.705689 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.259 flat angles P-C4'-P energy: -2.459 tors. eta vs tors. theta energy: -3.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -19.769198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.769198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.769198 (E_RNA) where: Base-Base interactions energy: -0.167 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.664 local terms energy: -18.937465 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.723 flat angles P-C4'-P energy: -2.084 tors. eta vs tors. theta energy: -0.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -19.326123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.326123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.326123 (E_RNA) where: Base-Base interactions energy: -0.923 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.596 local terms energy: -16.807184 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -4.187 flat angles C4'-P-C4' energy: -4.864 flat angles P-C4'-P energy: -2.801 tors. eta vs tors. theta energy: -0.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -19.898485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.898485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.898485 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.896154 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.870 flat angles P-C4'-P energy: -4.231 tors. eta vs tors. theta energy: 0.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -19.431774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.431774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.431774 (E_RNA) where: Base-Base interactions energy: -1.225 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -18.203856 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.315 flat angles P-C4'-P energy: -3.463 tors. eta vs tors. theta energy: -0.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -17.697124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.697124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.697124 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.843 local terms energy: -16.854445 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.330 flat angles P-C4'-P energy: -3.134 tors. eta vs tors. theta energy: 0.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -19.646317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.646317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.646317 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.646257 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.743 flat angles P-C4'-P energy: -3.357 tors. eta vs tors. theta energy: -2.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -22.090543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.090543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.090543 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.090511 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.329 flat angles P-C4'-P energy: -4.011 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: 2, replica: 4 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -22.513758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.513758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.513758 (E_RNA) where: Base-Base interactions energy: -5.213 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -17.272118 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -2.560 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: 9 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -20.304875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.304875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.304875 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.629 local terms energy: -19.675810 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -3.867 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: 4, replica: 1 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -21.146881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.146881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.146881 (E_RNA) where: Base-Base interactions energy: -1.822 where: short stacking energy: 0.252 Base-Backbone interact. energy: -0.000 local terms energy: -19.324374 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.926 flat angles P-C4'-P energy: -2.492 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: 6 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -19.680056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.680056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.680056 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.676750 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -4.262 flat angles C4'-P-C4' energy: -4.456 flat angles P-C4'-P energy: -3.500 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: 6, replica: 5 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -21.171184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.171184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.171184 (E_RNA) where: Base-Base interactions energy: -5.135 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.378 local terms energy: -15.657611 where: bonds (distance) C4'-P energy: -3.349 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -3.395 flat angles P-C4'-P energy: -2.734 tors. eta vs tors. theta energy: -0.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -20.481648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.481648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.481648 (E_RNA) where: Base-Base interactions energy: -0.802 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -19.579899 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -4.470 flat angles C4'-P-C4' energy: -4.728 flat angles P-C4'-P energy: -4.314 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: 8, replica: 2 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -19.092749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.092749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.092749 (E_RNA) where: Base-Base interactions energy: -2.560 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -16.529970 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.793 flat angles P-C4'-P energy: -3.369 tors. eta vs tors. theta energy: 1.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -17.895255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.895255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.895255 (E_RNA) where: Base-Base interactions energy: -4.379 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.019 local terms energy: -13.497665 where: bonds (distance) C4'-P energy: -4.537 bonds (distance) P-C4' energy: -4.173 flat angles C4'-P-C4' energy: -3.913 flat angles P-C4'-P energy: 0.113 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: 3 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -18.529435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.529435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.529435 (E_RNA) where: Base-Base interactions energy: 0.355 where: short stacking energy: 0.355 Base-Backbone interact. energy: -0.937 local terms energy: -17.947285 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.919 flat angles P-C4'-P energy: -3.497 tors. eta vs tors. theta energy: 0.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -23.120184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.120184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.120184 (E_RNA) where: Base-Base interactions energy: -3.688 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.165 local terms energy: -19.266791 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.969 flat angles C4'-P-C4' energy: -4.822 flat angles P-C4'-P energy: -4.598 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: 2, replica: 10 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -24.038926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.038926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.038926 (E_RNA) where: Base-Base interactions energy: -4.600 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.072 local terms energy: -19.367245 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.356 flat angles P-C4'-P energy: -3.143 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: 9 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -21.785039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.785039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.785039 (E_RNA) where: Base-Base interactions energy: -1.733 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.110 local terms energy: -19.942013 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -2.976 tors. eta vs tors. theta energy: -1.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -19.965295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.965295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.965295 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.965158 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -3.764 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: 5, replica: 5 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -21.325081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.325081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.325081 (E_RNA) where: Base-Base interactions energy: -0.631 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.690631 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.880 flat angles P-C4'-P energy: -4.042 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: 6, replica: 6 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -19.941320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.941320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.941320 (E_RNA) where: Base-Base interactions energy: -4.442 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.137 local terms energy: -15.361481 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -3.189 flat angles P-C4'-P energy: -3.899 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: 7, replica: 2 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -21.280328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.280328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.280328 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.241 local terms energy: -21.521484 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -4.524 tors. eta vs tors. theta energy: -0.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -19.476636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.476636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.476636 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.069 local terms energy: -19.507187 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.977 flat angles P-C4'-P energy: -2.956 tors. eta vs tors. theta energy: -1.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -21.466846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.466846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.466846 (E_RNA) where: Base-Base interactions energy: -1.639 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.823703 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.591 flat angles P-C4'-P energy: -3.707 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: 10, replica: 7 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -18.724880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.724880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.724880 (E_RNA) where: Base-Base interactions energy: -0.622 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.628 local terms energy: -17.474548 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -3.726 flat angles C4'-P-C4' energy: -5.332 flat angles P-C4'-P energy: -3.640 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: 1, replica: 4 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -21.450235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.450235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.450235 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.449945 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.204 flat angles P-C4'-P energy: -4.883 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: 2, replica: 9 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -24.094414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.094414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.094414 (E_RNA) where: Base-Base interactions energy: -1.875 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.054 local terms energy: -21.165629 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -4.465 tors. eta vs tors. theta energy: -0.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -20.502755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.502755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.502755 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -20.488819 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -2.221 tors. eta vs tors. theta energy: -2.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -21.963201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.963201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.963201 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.102 local terms energy: -21.860914 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.750 flat angles P-C4'-P energy: -3.795 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: 5, replica: 1 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -20.752833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.752833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.752833 (E_RNA) where: Base-Base interactions energy: -4.931 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.195 local terms energy: -15.627042 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -3.352 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: 6, replica: 2 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -19.822493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.822493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.822493 (E_RNA) where: Base-Base interactions energy: -5.131 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.024 local terms energy: -14.667434 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -3.395 flat angles P-C4'-P energy: -2.400 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: 7, replica: 6 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -20.990763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.990763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.990763 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.373 local terms energy: -20.617963 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.582 flat angles P-C4'-P energy: -4.571 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: 8, replica: 3 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -21.069822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.069822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.069822 (E_RNA) where: Base-Base interactions energy: -4.837 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.040 local terms energy: -16.272623 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.157 flat angles P-C4'-P energy: -3.043 tors. eta vs tors. theta energy: 2.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -18.131403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.131403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.131403 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -18.121330 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.187 flat angles P-C4'-P energy: -2.293 tors. eta vs tors. theta energy: 0.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -19.483469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.483469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.483469 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.483366 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.515 flat angles P-C4'-P energy: -2.431 tors. eta vs tors. theta energy: -2.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -20.697752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.697752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.697752 (E_RNA) where: Base-Base interactions energy: 0.336 where: short stacking energy: 0.336 Base-Backbone interact. energy: -0.015 local terms energy: -21.018735 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -4.672 flat angles P-C4'-P energy: -3.422 tors. eta vs tors. theta energy: -2.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -22.907278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.907278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.907278 (E_RNA) where: Base-Base interactions energy: -5.332 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -17.490608 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -3.428 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: 3, replica: 5 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -20.462924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.462924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.462924 (E_RNA) where: Base-Base interactions energy: -1.815 where: short stacking energy: 0.203 Base-Backbone interact. energy: -0.293 local terms energy: -18.355022 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.460 flat angles P-C4'-P energy: -3.437 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: 4, replica: 10 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -20.909970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.909970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.909970 (E_RNA) where: Base-Base interactions energy: -3.993 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.196 local terms energy: -16.721106 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.281 flat angles P-C4'-P energy: -3.944 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: 5, replica: 1 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -19.999414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.999414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.999414 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.041 local terms energy: -19.958826 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.654 flat angles P-C4'-P energy: -4.171 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: 406 Temperature: 1.150000 Total energy: -19.316189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.316189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.316189 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.039 local terms energy: -19.277479 where: bonds (distance) C4'-P energy: -4.273 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -3.858 tors. eta vs tors. theta energy: 0.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -19.250399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.250399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.250399 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.050 local terms energy: -18.199988 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.670 flat angles P-C4'-P energy: -3.724 tors. eta vs tors. theta energy: 0.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -19.165483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.165483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.165483 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -19.130368 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.385 flat angles P-C4'-P energy: -4.029 tors. eta vs tors. theta energy: 0.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -21.177148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.177148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.177148 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.177148 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -4.377 flat angles P-C4'-P energy: -4.600 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: 10, replica: 8 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -18.097193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.097193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.097193 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.097172 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -2.886 flat angles P-C4'-P energy: -3.669 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: 1, replica: 9 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -22.175774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.175774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.175774 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.175767 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.835 flat angles P-C4'-P energy: -3.940 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: 2, replica: 5 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -23.933281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.933281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.933281 (E_RNA) where: Base-Base interactions energy: -5.168 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -18.730197 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.574 flat angles P-C4'-P energy: -4.056 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: 3, replica: 4 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -21.463919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.463919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.463919 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -21.458719 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.261 flat angles P-C4'-P energy: -4.279 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: 4, replica: 10 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -21.089508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.089508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.089508 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.089116 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.030 flat angles P-C4'-P energy: -4.094 tors. eta vs tors. theta energy: -1.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -22.279356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.279356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.279356 (E_RNA) where: Base-Base interactions energy: -5.368 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.049 local terms energy: -16.862704 where: bonds (distance) C4'-P energy: -3.868 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.569 flat angles P-C4'-P energy: -3.162 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: 3 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -18.873487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.873487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.873487 (E_RNA) where: Base-Base interactions energy: -0.312 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.561116 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.068 flat angles P-C4'-P energy: -3.726 tors. eta vs tors. theta energy: -0.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -19.159493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.159493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.159493 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -19.142325 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.261 flat angles P-C4'-P energy: -3.582 tors. eta vs tors. theta energy: 0.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -20.123498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.123498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.123498 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.123437 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -3.905 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -4.513 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: 9, replica: 6 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -19.776963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.776963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.776963 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.776960 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -4.253 flat angles P-C4'-P energy: -4.505 tors. eta vs tors. theta energy: -1.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -19.438088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.438088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.438088 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.437888 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.373 flat angles P-C4'-P energy: -4.008 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: 5 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -22.999899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.999899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.999899 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -22.997452 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.614 flat angles P-C4'-P energy: -4.180 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: 9 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -19.883458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.883458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.883458 (E_RNA) where: Base-Base interactions energy: 0.539 where: short stacking energy: 0.539 Base-Backbone interact. energy: -0.001 local terms energy: -20.421515 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.881 flat angles P-C4'-P energy: -3.222 tors. eta vs tors. theta energy: -1.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -23.644312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.644312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.644312 (E_RNA) where: Base-Base interactions energy: -5.252 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -18.389122 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -5.571 flat angles P-C4'-P energy: -2.613 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: 4 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -24.113974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.113974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.113974 (E_RNA) where: Base-Base interactions energy: -5.532 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.062 local terms energy: -18.519552 where: bonds (distance) C4'-P energy: -5.614 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -3.381 flat angles P-C4'-P energy: -2.266 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: 5, replica: 3 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -19.915368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.915368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.915368 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.125 local terms energy: -19.790207 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.541 flat angles P-C4'-P energy: -4.195 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: 6, replica: 1 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -18.692470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.692470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.692470 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.114 local terms energy: -18.578418 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.593 flat angles P-C4'-P energy: -3.112 tors. eta vs tors. theta energy: -0.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -20.448246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.448246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.448246 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.448119 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.460 flat angles P-C4'-P energy: -4.549 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: 8, replica: 2 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -19.335914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.335914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.335914 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.049 local terms energy: -19.286645 where: bonds (distance) C4'-P energy: -4.273 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -3.889 flat angles P-C4'-P energy: -4.391 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: 9, replica: 8 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -21.655030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.655030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.655030 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.655026 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -2.613 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: 6 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -18.984581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.984581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.984581 (E_RNA) where: Base-Base interactions energy: 0.026 where: short stacking energy: 0.026 Base-Backbone interact. energy: -0.014 local terms energy: -18.996919 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.194 flat angles P-C4'-P energy: -4.684 tors. eta vs tors. theta energy: 0.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -21.001984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.001984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.001984 (E_RNA) where: Base-Base interactions energy: -2.620 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.064 local terms energy: -18.317946 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.587 flat angles P-C4'-P energy: -3.535 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: 2, replica: 10 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -25.834443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.834443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.834443 (E_RNA) where: Base-Base interactions energy: -4.399 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.624 local terms energy: -20.811427 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.459 flat angles P-C4'-P energy: -2.934 tors. eta vs tors. theta energy: -2.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -22.553190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.553190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.553190 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.553106 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -4.802 flat angles P-C4'-P energy: -4.323 tors. eta vs tors. theta energy: -3.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -21.741899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.741899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.741899 (E_RNA) where: Base-Base interactions energy: -4.468 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -17.239534 where: bonds (distance) C4'-P energy: -4.124 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.207 flat angles P-C4'-P energy: -3.615 tors. eta vs tors. theta energy: 1.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -21.132070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.132070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.132070 (E_RNA) where: Base-Base interactions energy: -0.735 where: short stacking energy: 0.099 Base-Backbone interact. energy: -0.000 local terms energy: -20.396937 where: bonds (distance) C4'-P energy: -3.880 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.096 flat angles P-C4'-P energy: -3.815 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: 6, replica: 1 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -20.269383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.269383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.269383 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.073 local terms energy: -20.196373 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -3.787 tors. eta vs tors. theta energy: -0.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -19.602872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.602872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.602872 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -19.594314 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.198 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -0.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -20.112030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.112030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.112030 (E_RNA) where: Base-Base interactions energy: -4.324 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -15.690241 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -2.926 flat angles P-C4'-P energy: -3.670 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: 2 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -19.584141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.584141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.584141 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.584139 where: bonds (distance) C4'-P energy: -3.847 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -2.787 flat angles P-C4'-P energy: -3.082 tors. eta vs tors. theta energy: -4.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -18.860535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.860535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.860535 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -18.760776 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -3.204 tors. eta vs tors. theta energy: -0.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -21.849411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.849411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.849411 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.051 local terms energy: -21.798907 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -3.457 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: 5 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -21.057909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.057909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.057909 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.157753 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.329 flat angles P-C4'-P energy: -2.997 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: 3, replica: 3 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -20.571032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.571032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.571032 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.570388 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.110 flat angles P-C4'-P energy: -3.933 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: 4, replica: 9 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -23.305372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.305372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.305372 (E_RNA) where: Base-Base interactions energy: -2.745 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.558785 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.639 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: -0.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -20.836227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.836227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.836227 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.836225 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.756 flat angles P-C4'-P energy: -4.036 tors. eta vs tors. theta energy: -1.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -20.374083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.374083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.374083 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.371496 where: bonds (distance) C4'-P energy: -4.240 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.785 flat angles P-C4'-P energy: -3.455 tors. eta vs tors. theta energy: -0.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -19.688254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.688254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.688254 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.038 local terms energy: -19.649780 where: bonds (distance) C4'-P energy: -3.163 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -4.908 flat angles P-C4'-P energy: -4.468 tors. eta vs tors. theta energy: -1.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -20.212165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.212165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.212165 (E_RNA) where: Base-Base interactions energy: -3.902 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -16.307065 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -4.476 flat angles C4'-P-C4' energy: -5.770 flat angles P-C4'-P energy: -2.772 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: 9, replica: 6 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -18.837645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.837645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.837645 (E_RNA) where: Base-Base interactions energy: 0.086 where: short stacking energy: 0.086 Base-Backbone interact. energy: -1.157 local terms energy: -17.767544 where: bonds (distance) C4'-P energy: -3.830 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.166 flat angles P-C4'-P energy: -4.561 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: 10, replica: 2 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -19.065206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.065206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.065206 (E_RNA) where: Base-Base interactions energy: -4.280 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.349 local terms energy: -14.436422 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -5.164 flat angles P-C4'-P energy: -4.380 tors. eta vs tors. theta energy: 4.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -21.584221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.584221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.584221 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -21.484143 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.388 flat angles P-C4'-P energy: -4.415 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: 2, replica: 5 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -21.909258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.909258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.909258 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.909249 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.333 flat angles P-C4'-P energy: -3.486 tors. eta vs tors. theta energy: -1.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -19.984051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.984051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.984051 (E_RNA) where: Base-Base interactions energy: -1.051 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.047 local terms energy: -18.885850 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -4.884 flat angles P-C4'-P energy: -3.074 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: 4, replica: 1 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -22.699540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.699540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.699540 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.699430 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.507 flat angles P-C4'-P energy: -3.207 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: 5, replica: 9 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -18.868494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.868494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.868494 (E_RNA) where: Base-Base interactions energy: 1.100 where: short stacking energy: 1.100 Base-Backbone interact. energy: -0.001 local terms energy: -19.967599 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.185 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: -0.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -19.344619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.344619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.344619 (E_RNA) where: Base-Base interactions energy: -1.873 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.073 local terms energy: -17.398325 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -3.881 flat angles P-C4'-P energy: -3.473 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: 7, replica: 4 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -19.900448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.900448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.900448 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.895655 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.564 flat angles P-C4'-P energy: -3.196 tors. eta vs tors. theta energy: 0.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -19.654420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.654420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.654420 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.651232 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.781 flat angles P-C4'-P energy: -3.684 tors. eta vs tors. theta energy: -0.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -20.109204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.109204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.109204 (E_RNA) where: Base-Base interactions energy: -2.317 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -17.791925 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -3.823 flat angles P-C4'-P energy: -1.579 tors. eta vs tors. theta energy: -1.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -21.376589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.376589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.376589 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -21.363251 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.594 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -3.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -20.349959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.349959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.349959 (E_RNA) where: Base-Base interactions energy: -2.692 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.101 local terms energy: -17.557133 where: bonds (distance) C4'-P energy: -4.439 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.858 flat angles P-C4'-P energy: -0.128 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: 10 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -22.655567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.655567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.655567 (E_RNA) where: Base-Base interactions energy: -2.528 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -20.109340 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.765 flat angles P-C4'-P energy: -4.080 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: 3, replica: 1 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -21.461215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.461215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.461215 (E_RNA) where: Base-Base interactions energy: -1.802 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.657970 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -3.641 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: 3 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -22.363448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.363448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.363448 (E_RNA) where: Base-Base interactions energy: -3.123 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -19.219352 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -4.171 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: 5, replica: 7 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -21.503261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.503261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.503261 (E_RNA) where: Base-Base interactions energy: -1.581 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -19.898631 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.966 flat angles P-C4'-P energy: -3.858 tors. eta vs tors. theta energy: -1.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -18.416334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.416334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.416334 (E_RNA) where: Base-Base interactions energy: -2.081 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -16.335365 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -5.157 flat angles P-C4'-P energy: -0.345 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: 7, replica: 6 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -19.470167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.470167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.470167 (E_RNA) where: Base-Base interactions energy: -2.548 where: short stacking energy: 0.460 Base-Backbone interact. energy: -0.533 local terms energy: -16.389320 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -3.167 flat angles C4'-P-C4' energy: -4.037 flat angles P-C4'-P energy: -4.534 tors. eta vs tors. theta energy: -0.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -20.698839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.698839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.698839 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.695348 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.404 flat angles P-C4'-P energy: -4.492 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: 2 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -19.353467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.353467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.353467 (E_RNA) where: Base-Base interactions energy: 0.667 where: short stacking energy: 0.667 Base-Backbone interact. energy: -0.000 local terms energy: -20.020209 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.291 flat angles P-C4'-P energy: -2.743 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: 8 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -19.475440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.475440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.475440 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.474750 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -4.072 tors. eta vs tors. theta energy: 0.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -21.088301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.088301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.088301 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.678 local terms energy: -20.410274 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -3.994 flat angles C4'-P-C4' energy: -5.411 flat angles P-C4'-P energy: -3.888 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: 10 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -22.541219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.541219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.541219 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.541217 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -4.323 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: 1 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -20.423609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.423609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.423609 (E_RNA) where: Base-Base interactions energy: -2.799 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -17.613708 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.654 flat angles P-C4'-P energy: -4.353 tors. eta vs tors. theta energy: 1.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -21.769239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.769239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.769239 (E_RNA) where: Base-Base interactions energy: -5.241 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -16.430347 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -3.246 flat angles C4'-P-C4' energy: -4.419 flat angles P-C4'-P energy: -4.180 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: 3 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -20.693240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.693240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.693240 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.034 local terms energy: -20.658744 where: bonds (distance) C4'-P energy: -2.977 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.083 flat angles P-C4'-P energy: -4.706 tors. eta vs tors. theta energy: -1.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -20.419523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.419523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.419523 (E_RNA) where: Base-Base interactions energy: -1.789 where: short stacking energy: 0.600 Base-Backbone interact. energy: 0.628 local terms energy: -19.258952 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.301 flat angles P-C4'-P energy: -3.466 tors. eta vs tors. theta energy: -0.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -18.830737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.830737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.830737 (E_RNA) where: Base-Base interactions energy: -1.881 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.460 local terms energy: -17.409284 where: bonds (distance) C4'-P energy: -4.240 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.503 flat angles P-C4'-P energy: -4.077 tors. eta vs tors. theta energy: 1.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -18.310964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.310964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.310964 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -18.289609 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -4.252 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -2.635 tors. eta vs tors. theta energy: -1.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -19.701983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.701983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.701983 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.701885 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.946 flat angles P-C4'-P energy: -4.286 tors. eta vs tors. theta energy: 0.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -20.586389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.586389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.586389 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -20.551285 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.186 flat angles P-C4'-P energy: -4.235 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: 1, replica: 10 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -23.505343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.505343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.505343 (E_RNA) where: Base-Base interactions energy: -4.625 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.103 local terms energy: -18.777056 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -3.971 tors. eta vs tors. theta energy: 1.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -24.364108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.364108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.364108 (E_RNA) where: Base-Base interactions energy: -4.938 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -19.409013 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -3.646 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: 7 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -21.564888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.564888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.564888 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.066 local terms energy: -21.498553 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.884 flat angles P-C4'-P energy: -4.426 tors. eta vs tors. theta energy: -0.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -21.085835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.085835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.085835 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -21.068966 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -4.496 flat angles P-C4'-P energy: -4.531 tors. eta vs tors. theta energy: -0.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -20.178578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.178578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.178578 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.741 local terms energy: -19.437147 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.643 flat angles P-C4'-P energy: -4.086 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: 6, replica: 3 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -21.222491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.222491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.222491 (E_RNA) where: Base-Base interactions energy: -0.009 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -21.203493 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -3.229 tors. eta vs tors. theta energy: -1.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -19.680832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.680832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.680832 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.102 local terms energy: -19.578504 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.915 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: -0.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -19.141452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.141452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.141452 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.141366 where: bonds (distance) C4'-P energy: -3.843 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.794 flat angles P-C4'-P energy: -4.323 tors. eta vs tors. theta energy: -0.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -19.426651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.426651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.426651 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -19.409827 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -4.302 flat angles C4'-P-C4' energy: -4.753 flat angles P-C4'-P energy: -4.044 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: 8 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -19.432617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.432617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.432617 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.432613 where: bonds (distance) C4'-P energy: -4.537 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.377 flat angles P-C4'-P energy: -3.342 tors. eta vs tors. theta energy: 0.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -21.464465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.464465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.464465 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -21.451812 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -5.189 flat angles P-C4'-P energy: -4.656 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: 2, replica: 5 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -24.266439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.266439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.266439 (E_RNA) where: Base-Base interactions energy: 1.135 where: short stacking energy: 1.135 Base-Backbone interact. energy: -0.000 local terms energy: -25.401934 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.688 flat angles P-C4'-P energy: -4.723 tors. eta vs tors. theta energy: -4.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -21.220291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.220291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.220291 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.189 local terms energy: -21.030930 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.543 flat angles P-C4'-P energy: -4.433 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: 6 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -19.425811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.425811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.425811 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -19.336202 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.805 flat angles P-C4'-P energy: -3.549 tors. eta vs tors. theta energy: -0.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -22.894441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.894441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.894441 (E_RNA) where: Base-Base interactions energy: -2.941 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -19.859229 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.770 flat angles P-C4'-P energy: -4.714 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: 6, replica: 2 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -21.598263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.598263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.598263 (E_RNA) where: Base-Base interactions energy: -2.232 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.106 local terms energy: -18.260463 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -3.196 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: 3 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -21.540933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.540933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.540933 (E_RNA) where: Base-Base interactions energy: -1.782 where: short stacking energy: 0.040 Base-Backbone interact. energy: -0.042 local terms energy: -19.716379 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.003 flat angles P-C4'-P energy: -3.780 tors. eta vs tors. theta energy: -0.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -20.592303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.592303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.592303 (E_RNA) where: Base-Base interactions energy: -2.229 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.363385 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -3.281 flat angles C4'-P-C4' energy: -4.978 flat angles P-C4'-P energy: -3.848 tors. eta vs tors. theta energy: -1.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -20.035679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.035679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.035679 (E_RNA) where: Base-Base interactions energy: -5.619 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -14.396781 where: bonds (distance) C4'-P energy: -3.826 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.185 flat angles P-C4'-P energy: -1.123 tors. eta vs tors. theta energy: 0.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -20.349168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.349168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.349168 (E_RNA) where: Base-Base interactions energy: -0.286 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.060714 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.891 flat angles P-C4'-P energy: -4.165 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: 1, replica: 5 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -23.613390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.613390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.613390 (E_RNA) where: Base-Base interactions energy: -1.307 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.306792 where: bonds (distance) C4'-P energy: -4.323 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.355 flat angles P-C4'-P energy: -4.638 tors. eta vs tors. theta energy: -2.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -21.955887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.955887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.955887 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.955885 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.725 flat angles P-C4'-P energy: -3.737 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: 3, replica: 6 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -23.154776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.154776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.154776 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.154715 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -4.165 tors. eta vs tors. theta energy: -3.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -21.712877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.712877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.712877 (E_RNA) where: Base-Base interactions energy: -5.535 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.123 local terms energy: -16.054485 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.519 flat angles P-C4'-P energy: -4.506 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: 5, replica: 2 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -20.869421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.869421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.869421 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.869417 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.714 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -0.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -20.599048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.599048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.599048 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.598635 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -4.638 flat angles P-C4'-P energy: -2.554 tors. eta vs tors. theta energy: -3.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -19.265511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.265511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.265511 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.265502 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.963 flat angles P-C4'-P energy: -1.111 tors. eta vs tors. theta energy: -3.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -20.038417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.038417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.038417 (E_RNA) where: Base-Base interactions energy: -3.486 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.064 local terms energy: -16.488235 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -4.237 flat angles C4'-P-C4' energy: -3.646 flat angles P-C4'-P energy: -4.093 tors. eta vs tors. theta energy: -0.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -20.298701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.298701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.298701 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.069 local terms energy: -20.629620 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.127 flat angles P-C4'-P energy: -4.819 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: 9 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -19.589790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.589790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.589790 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.589178 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.251 flat angles P-C4'-P energy: -3.623 tors. eta vs tors. theta energy: -1.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -27.677289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.677289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.677289 (E_RNA) where: Base-Base interactions energy: -7.010 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.664897 where: bonds (distance) C4'-P energy: -4.770 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -3.426 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: 6 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -22.994860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.994860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.994860 (E_RNA) where: Base-Base interactions energy: -4.423 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -18.511701 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.942 flat angles P-C4'-P energy: -4.315 tors. eta vs tors. theta energy: 0.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -20.345918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.345918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.345918 (E_RNA) where: Base-Base interactions energy: -5.932 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -14.320691 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -2.531 flat angles P-C4'-P energy: -2.532 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: 4, replica: 2 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -21.939307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.939307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.939307 (E_RNA) where: Base-Base interactions energy: -2.066 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -19.857697 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.925 flat angles P-C4'-P energy: -4.196 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: 5, replica: 7 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -20.845681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.845681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.845681 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.844285 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -4.415 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: 6, replica: 4 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -20.915153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.915153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.915153 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.139 local terms energy: -20.775946 where: bonds (distance) C4'-P energy: -4.191 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.437 flat angles P-C4'-P energy: -3.876 tors. eta vs tors. theta energy: -1.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -18.533091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.533091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.533091 (E_RNA) where: Base-Base interactions energy: 0.119 where: short stacking energy: 0.119 Base-Backbone interact. energy: -0.302 local terms energy: -18.349644 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -4.312 flat angles P-C4'-P energy: -4.341 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: 8, replica: 8 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -19.254483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.254483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.254483 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -19.244243 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -3.482 tors. eta vs tors. theta energy: 1.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -19.605897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.605897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.605897 (E_RNA) where: Base-Base interactions energy: -0.854 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.750745 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -3.687 flat angles P-C4'-P energy: -3.422 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: 9 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -18.632551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.632551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.632551 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.632547 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -1.969 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: 5 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -22.106911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.106911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.106911 (E_RNA) where: Base-Base interactions energy: 0.700 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.048 local terms energy: -22.758962 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -4.533 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: 2, replica: 6 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -25.381140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.381140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.381140 (E_RNA) where: Base-Base interactions energy: -4.469 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.910100 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.460 flat angles C4'-P-C4' energy: -3.362 flat angles P-C4'-P energy: -4.176 tors. eta vs tors. theta energy: -2.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -23.895819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.895819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.895819 (E_RNA) where: Base-Base interactions energy: -8.449 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -15.352081 where: bonds (distance) C4'-P energy: -4.869 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -4.232 flat angles P-C4'-P energy: -3.595 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: 4, replica: 10 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -20.900189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.900189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.900189 (E_RNA) where: Base-Base interactions energy: -3.021 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.056 local terms energy: -17.823866 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.587 flat angles P-C4'-P energy: -4.067 tors. eta vs tors. theta energy: 2.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -20.664080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.664080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.664080 (E_RNA) where: Base-Base interactions energy: -2.662 where: short stacking energy: 0.022 Base-Backbone interact. energy: -0.145 local terms energy: -17.857351 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.262 flat angles P-C4'-P energy: -3.308 tors. eta vs tors. theta energy: -0.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -20.098189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.098189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.098189 (E_RNA) where: Base-Base interactions energy: 0.523 where: short stacking energy: 0.523 Base-Backbone interact. energy: -0.000 local terms energy: -20.621310 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -4.594 flat angles P-C4'-P energy: -2.420 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: 7, replica: 8 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -21.583711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.583711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.583711 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.583707 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.936 flat angles P-C4'-P energy: -4.021 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: 8, replica: 1 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -20.797747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.797747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.797747 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.797719 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.381 flat angles P-C4'-P energy: -2.577 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: 9, replica: 9 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -19.299152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.299152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.299152 (E_RNA) where: Base-Base interactions energy: -2.353 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -16.847426 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.032 flat angles P-C4'-P energy: -2.560 tors. eta vs tors. theta energy: 0.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -18.704926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.704926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.704926 (E_RNA) where: Base-Base interactions energy: -2.918 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.090 local terms energy: -15.696562 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -1.450 tors. eta vs tors. theta energy: 1.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -21.342077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.342077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.342077 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -21.249877 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.693 flat angles P-C4'-P energy: -4.656 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: 2 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -20.864850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.864850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.864850 (E_RNA) where: Base-Base interactions energy: -3.295 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -17.540921 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.079 flat angles P-C4'-P energy: -2.451 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: 3, replica: 6 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -21.759653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.759653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.759653 (E_RNA) where: Base-Base interactions energy: -4.639 where: short stacking energy: 0.500 Base-Backbone interact. energy: -0.088 local terms energy: -17.031884 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.704 flat angles P-C4'-P energy: -2.395 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: 4, replica: 4 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -22.201923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.201923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.201923 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.201651 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.609 flat angles P-C4'-P energy: -3.490 tors. eta vs tors. theta energy: -2.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -19.867795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.867795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.867795 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.172 local terms energy: -19.695683 where: bonds (distance) C4'-P energy: -3.118 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.870 flat angles P-C4'-P energy: -4.214 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: 6, replica: 8 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -19.756311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.756311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.756311 (E_RNA) where: Base-Base interactions energy: -5.385 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.124 local terms energy: -14.247243 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -1.240 flat angles P-C4'-P energy: -3.471 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: 7, replica: 7 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -20.460686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.460686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.460686 (E_RNA) where: Base-Base interactions energy: 0.560 where: short stacking energy: 0.560 Base-Backbone interact. energy: -0.022 local terms energy: -20.998887 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -3.553 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: 9 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -22.178653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.178653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.178653 (E_RNA) where: Base-Base interactions energy: -2.927 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.079 local terms energy: -19.172565 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.449 flat angles P-C4'-P energy: -2.588 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: 9, replica: 1 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -20.037609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.037609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.037609 (E_RNA) where: Base-Base interactions energy: -5.904 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.107 local terms energy: -14.025980 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -4.833 flat angles P-C4'-P energy: -2.386 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: 10, replica: 3 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -19.321676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.321676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.321676 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.317611 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.607 flat angles P-C4'-P energy: -4.075 tors. eta vs tors. theta energy: -0.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -22.244303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.244303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.244303 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.244047 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.714 flat angles P-C4'-P energy: -3.570 tors. eta vs tors. theta energy: -3.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -20.637366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.637366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.637366 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.694 local terms energy: -19.943120 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.298 flat angles P-C4'-P energy: -4.158 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: 3, replica: 4 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -21.298972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.298972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.298972 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.247 local terms energy: -21.052252 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -5.421 flat angles P-C4'-P energy: -3.992 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: 4, replica: 6 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -21.862832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.862832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.862832 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -21.840763 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.078 flat angles P-C4'-P energy: -3.710 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: 8 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -22.337371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.337371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.337371 (E_RNA) where: Base-Base interactions energy: -2.647 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.689574 where: bonds (distance) C4'-P energy: -3.747 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -4.699 flat angles P-C4'-P energy: -2.922 tors. eta vs tors. theta energy: -3.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -20.185219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.185219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.185219 (E_RNA) where: Base-Base interactions energy: -1.603 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -18.578881 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.052 flat angles P-C4'-P energy: -3.887 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: 7, replica: 9 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -20.868235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.868235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.868235 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.868049 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.725 flat angles P-C4'-P energy: -4.695 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: 8, replica: 7 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -19.675795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.675795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.675795 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.471 local terms energy: -19.204955 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.329 flat angles P-C4'-P energy: -2.550 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: 3 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -21.924468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.924468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.924468 (E_RNA) where: Base-Base interactions energy: -5.157 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.106 local terms energy: -16.661310 where: bonds (distance) C4'-P energy: -2.187 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.636 flat angles P-C4'-P energy: -3.854 tors. eta vs tors. theta energy: 0.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -17.862544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.862544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.862544 (E_RNA) where: Base-Base interactions energy: -1.252 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -16.608068 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -3.317 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -2.118 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: 1, replica: 2 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -21.950580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.950580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.950580 (E_RNA) where: Base-Base interactions energy: -1.444 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.506780 where: bonds (distance) C4'-P energy: -4.273 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -3.430 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: 2, replica: 4 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -22.169717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.169717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.169717 (E_RNA) where: Base-Base interactions energy: -4.514 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.297 local terms energy: -17.358773 where: bonds (distance) C4'-P energy: -4.733 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.713 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: 1.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -20.863969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.863969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.863969 (E_RNA) where: Base-Base interactions energy: 0.072 where: short stacking energy: 0.111 Base-Backbone interact. energy: 0.018 local terms energy: -20.953520 where: bonds (distance) C4'-P energy: -4.537 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -3.903 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: 4, replica: 8 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -20.251598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.251598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.251598 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.113 local terms energy: -20.138307 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.598 flat angles P-C4'-P energy: -4.276 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: 5, replica: 6 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -21.692430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.692430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.692430 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.683 local terms energy: -21.009520 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -4.255 flat angles C4'-P-C4' energy: -4.518 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: -3.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -19.312888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.312888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.312888 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.312532 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -3.899 flat angles C4'-P-C4' energy: -5.540 flat angles P-C4'-P energy: -4.577 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: 7, replica: 10 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -19.927503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.927503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.927503 (E_RNA) where: Base-Base interactions energy: -0.760 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -19.155323 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.455 flat angles P-C4'-P energy: -0.984 tors. eta vs tors. theta energy: -2.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -20.303290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.303290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.303290 (E_RNA) where: Base-Base interactions energy: -2.262 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.040475 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -4.310 flat angles P-C4'-P energy: -2.954 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: 9, replica: 7 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -18.731633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.731633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.731633 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.242 local terms energy: -18.489398 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.291 flat angles P-C4'-P energy: -3.997 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: 10, replica: 1 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -18.852569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.852569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.852569 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.024 local terms energy: -18.828284 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.927 flat angles P-C4'-P energy: -3.432 tors. eta vs tors. theta energy: -1.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -20.773886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.773886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.773886 (E_RNA) where: Base-Base interactions energy: -0.277 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.780 local terms energy: -19.717049 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.258 flat angles P-C4'-P energy: -4.536 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: 2, replica: 2 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -22.686314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.686314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.686314 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.205 local terms energy: -22.481278 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -5.441 flat angles P-C4'-P energy: -4.316 tors. eta vs tors. theta energy: -2.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -21.412216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.412216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.412216 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.412059 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.975 flat angles P-C4'-P energy: -4.667 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: 4, replica: 5 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -21.490002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.490002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.490002 (E_RNA) where: Base-Base interactions energy: 0.157 where: short stacking energy: 0.157 Base-Backbone interact. energy: -0.002 local terms energy: -21.644958 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -2.927 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: 5, replica: 9 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -20.537077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.537077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.537077 (E_RNA) where: Base-Base interactions energy: -7.653 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.142 local terms energy: -12.742172 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -2.662 flat angles C4'-P-C4' energy: -3.572 flat angles P-C4'-P energy: -2.169 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: 6, replica: 6 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -18.502905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.502905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.502905 (E_RNA) where: Base-Base interactions energy: -1.655 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -16.826503 where: bonds (distance) C4'-P energy: -3.747 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.116 flat angles P-C4'-P energy: -3.808 tors. eta vs tors. theta energy: 1.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -20.177576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.177576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.177576 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.177561 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -4.925 flat angles P-C4'-P energy: -4.483 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: 8, replica: 10 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -18.523070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.523070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.523070 (E_RNA) where: Base-Base interactions energy: -1.407 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.150 local terms energy: -16.965353 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -3.336 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: 9, replica: 1 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -20.306630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.306630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.306630 (E_RNA) where: Base-Base interactions energy: -3.777 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -16.509608 where: bonds (distance) C4'-P energy: -3.544 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.050 flat angles P-C4'-P energy: -4.535 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: 10, replica: 7 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -22.827458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.827458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.827458 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -22.811915 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.855 flat angles P-C4'-P energy: -4.541 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: 4 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -22.812103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.812103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.812103 (E_RNA) where: Base-Base interactions energy: -5.985 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.293 local terms energy: -16.534730 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -5.200 flat angles P-C4'-P energy: -3.651 tors. eta vs tors. theta energy: 1.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -20.996820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.996820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.996820 (E_RNA) where: Base-Base interactions energy: 0.082 where: short stacking energy: 0.082 Base-Backbone interact. energy: -0.000 local terms energy: -21.079032 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.116 flat angles P-C4'-P energy: -3.672 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: 3, replica: 2 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -22.979111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.979111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.979111 (E_RNA) where: Base-Base interactions energy: -4.748 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.103 local terms energy: -18.128041 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.108 flat angles P-C4'-P energy: -4.347 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: 4, replica: 9 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -18.754496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.754496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.754496 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.753453 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -4.982 flat angles P-C4'-P energy: -3.571 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: 5, replica: 5 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -21.954980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.954980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.954980 (E_RNA) where: Base-Base interactions energy: -4.682 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.104 local terms energy: -17.169441 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -2.750 flat angles P-C4'-P energy: -4.552 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: 6, replica: 3 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -20.381430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.381430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.381430 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -20.376357 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -4.199 tors. eta vs tors. theta energy: -1.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -19.632018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.632018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.632018 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -19.625361 where: bonds (distance) C4'-P energy: -4.289 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.878 flat angles P-C4'-P energy: -3.869 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: 8, replica: 1 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -19.991578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.991578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.991578 (E_RNA) where: Base-Base interactions energy: 1.899 where: short stacking energy: 1.899 Base-Backbone interact. energy: -0.491 local terms energy: -21.398785 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -3.709 tors. eta vs tors. theta energy: -1.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -20.114703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.114703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.114703 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.111197 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -3.223 tors. eta vs tors. theta energy: -0.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -19.250962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.250962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.250962 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.245758 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.261 flat angles P-C4'-P energy: -4.514 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: 1, replica: 8 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -21.807145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.807145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.807145 (E_RNA) where: Base-Base interactions energy: -0.951 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.855728 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.519 flat angles P-C4'-P energy: -3.322 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: 2, replica: 4 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -22.591456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.591456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.591456 (E_RNA) where: Base-Base interactions energy: 0.038 where: short stacking energy: 0.038 Base-Backbone interact. energy: -0.001 local terms energy: -22.628553 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.654 flat angles P-C4'-P energy: -4.554 tors. eta vs tors. theta energy: -3.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -21.711543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.711543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.711543 (E_RNA) where: Base-Base interactions energy: -1.772 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.051 local terms energy: -19.889290 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -4.202 flat angles P-C4'-P energy: -2.962 tors. eta vs tors. theta energy: -2.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -21.880682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.880682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.880682 (E_RNA) where: Base-Base interactions energy: -1.179 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.697776 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.878 flat angles P-C4'-P energy: -4.693 tors. eta vs tors. theta energy: -1.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -19.482505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.482505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.482505 (E_RNA) where: Base-Base interactions energy: -2.031 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.143 local terms energy: -17.594160 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.537 flat angles P-C4'-P energy: -2.496 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: 5 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -19.313934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.313934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.313934 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.238 local terms energy: -19.075771 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.568 flat angles P-C4'-P energy: -4.415 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: 7, replica: 6 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -21.436929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.436929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.436929 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -21.424212 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.096 flat angles P-C4'-P energy: -3.838 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: 8, replica: 1 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -20.737438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.737438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.737438 (E_RNA) where: Base-Base interactions energy: -4.992 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -15.653718 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -1.977 flat angles P-C4'-P energy: -4.731 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: 9, replica: 7 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -19.833553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.833553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.833553 (E_RNA) where: Base-Base interactions energy: 0.553 where: short stacking energy: 0.553 Base-Backbone interact. energy: -0.000 local terms energy: -20.386997 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -5.220 flat angles P-C4'-P energy: -4.476 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: 10, replica: 10 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -19.258590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.258590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.258590 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -19.243501 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -4.470 flat angles C4'-P-C4' energy: -5.538 flat angles P-C4'-P energy: -3.027 tors. eta vs tors. theta energy: -1.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -23.802858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.802858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.802858 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: 1.704 local terms energy: -25.907334 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -4.284 tors. eta vs tors. theta energy: -5.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -23.123134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.123134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.123134 (E_RNA) where: Base-Base interactions energy: -1.592 where: short stacking energy: 0.248 Base-Backbone interact. energy: -0.001 local terms energy: -21.530510 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.223 flat angles P-C4'-P energy: -4.419 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: 3, replica: 4 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -21.501761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.501761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.501761 (E_RNA) where: Base-Base interactions energy: 0.230 where: short stacking energy: 0.230 Base-Backbone interact. energy: -0.019 local terms energy: -21.712908 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.133 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: -1.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -21.198383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.198383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.198383 (E_RNA) where: Base-Base interactions energy: -2.053 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.017 local terms energy: -19.128631 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -4.486 flat angles P-C4'-P energy: -2.651 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: 5, replica: 2 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -21.724044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.724044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.724044 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -21.716483 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.189 flat angles P-C4'-P energy: -3.338 tors. eta vs tors. theta energy: -1.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -19.750079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.750079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.750079 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.403 local terms energy: -19.346663 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.356 flat angles P-C4'-P energy: -4.439 tors. eta vs tors. theta energy: 0.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -20.704129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.704129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.704129 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.703598 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.587 flat angles P-C4'-P energy: -4.407 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: 8, replica: 7 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -19.688762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.688762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.688762 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.683696 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -3.254 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: 9, replica: 1 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -20.388694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.388694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.388694 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.388300 where: bonds (distance) C4'-P energy: -4.124 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -3.271 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: 10, replica: 10 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -18.580890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.580890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.580890 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -18.574371 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: 0.137 tors. eta vs tors. theta energy: -3.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -22.701640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.701640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.701640 (E_RNA) where: Base-Base interactions energy: -5.692 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -16.948333 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.840 flat angles P-C4'-P energy: -2.721 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: 2, replica: 8 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -22.146504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.146504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.146504 (E_RNA) where: Base-Base interactions energy: -5.865 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.066 local terms energy: -16.216240 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -5.016 flat angles P-C4'-P energy: -4.591 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: 3, replica: 4 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -23.412686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.412686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.412686 (E_RNA) where: Base-Base interactions energy: -2.272 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.140341 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.337 flat angles P-C4'-P energy: -3.024 tors. eta vs tors. theta energy: -4.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -22.614026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.614026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.614026 (E_RNA) where: Base-Base interactions energy: -7.101 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.139 local terms energy: -15.374068 where: bonds (distance) C4'-P energy: -3.445 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -3.004 tors. eta vs tors. theta energy: 1.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -21.251555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.251555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.251555 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.251542 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.054 flat angles P-C4'-P energy: -2.955 tors. eta vs tors. theta energy: -3.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -20.953309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.953309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.953309 (E_RNA) where: Base-Base interactions energy: -4.651 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.233 local terms energy: -16.069861 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -1.342 tors. eta vs tors. theta energy: 0.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -21.411390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.411390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.411390 (E_RNA) where: Base-Base interactions energy: 0.794 where: short stacking energy: 0.794 Base-Backbone interact. energy: -0.013 local terms energy: -22.192451 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.053 flat angles P-C4'-P energy: -2.934 tors. eta vs tors. theta energy: -3.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -19.648259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.648259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.648259 (E_RNA) where: Base-Base interactions energy: -0.654 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -18.959316 where: bonds (distance) C4'-P energy: -4.281 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -2.493 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: 10 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -19.788624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.788624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.788624 (E_RNA) where: Base-Base interactions energy: -4.250 where: short stacking energy: 0.500 Base-Backbone interact. energy: -0.060 local terms energy: -15.478038 where: bonds (distance) C4'-P energy: -2.008 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -2.983 tors. eta vs tors. theta energy: -0.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -19.923769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.923769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.923769 (E_RNA) where: Base-Base interactions energy: -1.104 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.074 local terms energy: -18.745733 where: bonds (distance) C4'-P energy: -5.614 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -3.065 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: 1, replica: 9 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -21.465311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.465311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.465311 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.073 local terms energy: -21.392702 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.088 flat angles P-C4'-P energy: -4.427 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: 2, replica: 4 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -22.691305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.691305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.691305 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -22.600949 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -3.413 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: 3, replica: 8 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -20.961523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.961523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.961523 (E_RNA) where: Base-Base interactions energy: -7.419 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -13.519533 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -3.602 flat angles C4'-P-C4' energy: -2.868 flat angles P-C4'-P energy: -3.323 tors. eta vs tors. theta energy: 1.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -21.442285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.442285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.442285 (E_RNA) where: Base-Base interactions energy: -1.147 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.111 local terms energy: -20.183621 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -5.186 flat angles P-C4'-P energy: -4.751 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: 5, replica: 3 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -20.135579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.135579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.135579 (E_RNA) where: Base-Base interactions energy: -5.441 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.713 local terms energy: -15.407247 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.888 flat angles P-C4'-P energy: -0.560 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: 6, replica: 7 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -19.775261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.775261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.775261 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.109 local terms energy: -19.666380 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.126 flat angles P-C4'-P energy: -3.933 tors. eta vs tors. theta energy: -0.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -18.019732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.019732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.019732 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.200 local terms energy: -17.820159 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.122 flat angles P-C4'-P energy: -4.208 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: 8, replica: 10 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -18.982275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.982275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.982275 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -18.889426 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.287 flat angles P-C4'-P energy: -4.768 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: 5 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -21.766922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.766922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.766922 (E_RNA) where: Base-Base interactions energy: -3.473 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.450 local terms energy: -18.744295 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.630 flat angles P-C4'-P energy: -3.586 tors. eta vs tors. theta energy: 0.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -18.799961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.799961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.799961 (E_RNA) where: Base-Base interactions energy: -1.896 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -16.902483 where: bonds (distance) C4'-P energy: -3.358 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -4.763 flat angles P-C4'-P energy: -2.532 tors. eta vs tors. theta energy: -1.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -22.032591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.032591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.032591 (E_RNA) where: Base-Base interactions energy: -5.134 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -16.889122 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.790 flat angles C4'-P-C4' energy: -3.910 flat angles P-C4'-P energy: -4.029 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: 2, replica: 4 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -22.838447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.838447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.838447 (E_RNA) where: Base-Base interactions energy: -7.063 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.148 local terms energy: -15.627365 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.600 flat angles P-C4'-P energy: -4.606 tors. eta vs tors. theta energy: 4.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -20.184476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.184476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.184476 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.183842 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.481 flat angles P-C4'-P energy: -3.795 tors. eta vs tors. theta energy: -1.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -19.895217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.895217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.895217 (E_RNA) where: Base-Base interactions energy: -0.858 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.036907 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.086 flat angles P-C4'-P energy: -3.982 tors. eta vs tors. theta energy: 0.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -20.430514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.430514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.430514 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.427538 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.503 flat angles P-C4'-P energy: -4.741 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: 6, replica: 3 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -19.354359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.354359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.354359 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.350842 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -5.490 flat angles P-C4'-P energy: -4.505 tors. eta vs tors. theta energy: 1.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -21.589185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.589185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.589185 (E_RNA) where: Base-Base interactions energy: -1.717 where: short stacking energy: 0.000 Base-Backbone interact. energy: -2.202 local terms energy: -17.670450 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -4.134 flat angles P-C4'-P energy: -4.442 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: 8, replica: 2 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -20.352338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.352338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.352338 (E_RNA) where: Base-Base interactions energy: -0.836 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -19.480636 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -4.817 flat angles P-C4'-P energy: -4.468 tors. eta vs tors. theta energy: -0.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -21.165371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.165371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.165371 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.297 local terms energy: -20.868134 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.116 flat angles P-C4'-P energy: -2.990 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: 5 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -19.132197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.132197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.132197 (E_RNA) where: Base-Base interactions energy: 0.152 where: short stacking energy: 0.152 Base-Backbone interact. energy: -0.020 local terms energy: -19.264502 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.178 flat angles P-C4'-P energy: -2.788 tors. eta vs tors. theta energy: -0.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -22.716982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.716982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.716982 (E_RNA) where: Base-Base interactions energy: -3.697 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.048 local terms energy: -18.971929 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.954 flat angles P-C4'-P energy: -4.778 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: 2, replica: 6 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -21.679399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.679399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.679399 (E_RNA) where: Base-Base interactions energy: -0.751 where: short stacking energy: 0.544 Base-Backbone interact. energy: -0.867 local terms energy: -20.061288 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -3.261 flat angles P-C4'-P energy: -4.419 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: 3, replica: 4 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -21.218449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.218449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.218449 (E_RNA) where: Base-Base interactions energy: -4.656 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.079 local terms energy: -16.483753 where: bonds (distance) C4'-P energy: -3.358 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -2.452 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: 4, replica: 7 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -23.499223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.499223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.499223 (E_RNA) where: Base-Base interactions energy: -0.976 where: short stacking energy: 0.814 Base-Backbone interact. energy: -0.000 local terms energy: -22.523260 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.929 flat angles P-C4'-P energy: -3.591 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: 5, replica: 8 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -22.218266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.218266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.218266 (E_RNA) where: Base-Base interactions energy: -5.691 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.632 local terms energy: -15.894735 where: bonds (distance) C4'-P energy: -4.389 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -1.234 flat angles P-C4'-P energy: -3.826 tors. eta vs tors. theta energy: -1.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -20.186962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.186962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.186962 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.100 local terms energy: -20.487073 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.005 flat angles P-C4'-P energy: -2.915 tors. eta vs tors. theta energy: -1.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -19.870658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.870658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.870658 (E_RNA) where: Base-Base interactions energy: -1.884 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.146 local terms energy: -17.840596 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -4.060 flat angles P-C4'-P energy: -4.541 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: 1 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -19.933123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.933123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.933123 (E_RNA) where: Base-Base interactions energy: -4.308 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -15.525238 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.464 flat angles P-C4'-P energy: -1.398 tors. eta vs tors. theta energy: 0.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -19.520071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.520071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.520071 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.517110 where: bonds (distance) C4'-P energy: -4.281 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.156 flat angles P-C4'-P energy: -3.648 tors. eta vs tors. theta energy: -0.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -19.384673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.384673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.384673 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.384673 where: bonds (distance) C4'-P energy: -2.993 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -3.224 flat angles P-C4'-P energy: -3.926 tors. eta vs tors. theta energy: -3.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -23.227999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.227999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.227999 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.227727 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -3.244 tors. eta vs tors. theta energy: -4.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -21.053132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.053132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.053132 (E_RNA) where: Base-Base interactions energy: -1.704 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.148 local terms energy: -19.201436 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -4.220 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: 3, replica: 7 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -21.486605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.486605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.486605 (E_RNA) where: Base-Base interactions energy: -2.162 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.088 local terms energy: -19.237023 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.251 flat angles P-C4'-P energy: -3.354 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: 4, replica: 4 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -18.865429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.865429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.865429 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.076 local terms energy: -18.788943 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.944 flat angles P-C4'-P energy: -3.528 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: 10 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -21.390861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.390861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.390861 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.389907 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -3.670 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: 6, replica: 8 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -21.245904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.245904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.245904 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.245902 where: bonds (distance) C4'-P energy: -5.714 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -4.532 tors. eta vs tors. theta energy: 0.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -20.070513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.070513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.070513 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.068 local terms energy: -20.002048 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.727 flat angles P-C4'-P energy: -4.054 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: 3 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -19.496000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.496000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.496000 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.159 local terms energy: -19.336794 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -3.271 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: 5 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -21.265129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.265129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.265129 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.265124 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.293 flat angles P-C4'-P energy: -3.131 tors. eta vs tors. theta energy: -3.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -18.882252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.882252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.882252 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.882252 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -2.867 flat angles P-C4'-P energy: -2.539 tors. eta vs tors. theta energy: -2.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -20.376419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.376419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.376419 (E_RNA) where: Base-Base interactions energy: -4.241 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.032 local terms energy: -16.103352 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -1.679 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: 2, replica: 7 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -22.410227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.410227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.410227 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -22.403044 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.612 flat angles P-C4'-P energy: -4.825 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: 3, replica: 9 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -20.480723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.480723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.480723 (E_RNA) where: Base-Base interactions energy: -2.731 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.038 local terms energy: -17.711720 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -3.839 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: 0.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -21.687424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.687424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.687424 (E_RNA) where: Base-Base interactions energy: -1.681 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.003492 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -2.784 flat angles P-C4'-P energy: -3.400 tors. eta vs tors. theta energy: -3.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -22.556729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.556729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.556729 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.079 local terms energy: -22.477970 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.855 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: -1.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -20.409738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.409738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.409738 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.409737 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -4.857 flat angles P-C4'-P energy: -2.574 tors. eta vs tors. theta energy: -3.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -19.570280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.570280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.570280 (E_RNA) where: Base-Base interactions energy: -1.077 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -18.395403 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -3.465 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: 5 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -19.932749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.932749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.932749 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.932688 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -3.005 flat angles P-C4'-P energy: -4.268 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: 9, replica: 3 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -20.167252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.167252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.167252 (E_RNA) where: Base-Base interactions energy: -3.780 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.068 local terms energy: -16.319847 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -2.609 flat angles P-C4'-P energy: -4.408 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: 10, replica: 2 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -18.112002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.112002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.112002 (E_RNA) where: Base-Base interactions energy: 0.213 where: short stacking energy: 0.213 Base-Backbone interact. energy: -0.083 local terms energy: -18.241781 where: bonds (distance) C4'-P energy: -4.811 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.371 flat angles P-C4'-P energy: -3.855 tors. eta vs tors. theta energy: -0.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -21.861162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.861162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.861162 (E_RNA) where: Base-Base interactions energy: -4.677 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.245 local terms energy: -16.939044 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.149 flat angles P-C4'-P energy: -3.422 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: 2, replica: 6 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -21.947188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.947188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.947188 (E_RNA) where: Base-Base interactions energy: -4.785 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.133 local terms energy: -17.028922 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.057 flat angles P-C4'-P energy: -2.867 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: 3, replica: 10 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -20.024118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.024118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.024118 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -20.008955 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -3.505 tors. eta vs tors. theta energy: -1.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -21.019006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.019006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.019006 (E_RNA) where: Base-Base interactions energy: -0.958 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -20.034352 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -4.086 tors. eta vs tors. theta energy: 0.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -20.314357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.314357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.314357 (E_RNA) where: Base-Base interactions energy: 0.283 where: short stacking energy: 0.283 Base-Backbone interact. energy: -0.000 local terms energy: -20.597628 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.554 flat angles P-C4'-P energy: -3.704 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: 6, replica: 4 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -19.342738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.342738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.342738 (E_RNA) where: Base-Base interactions energy: 0.067 where: short stacking energy: 0.067 Base-Backbone interact. energy: -0.000 local terms energy: -19.409646 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.799 flat angles P-C4'-P energy: -3.457 tors. eta vs tors. theta energy: -1.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -21.113696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.113696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.113696 (E_RNA) where: Base-Base interactions energy: 0.004 where: short stacking energy: 0.004 Base-Backbone interact. energy: -0.004 local terms energy: -21.114133 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.498 flat angles P-C4'-P energy: -3.726 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: 432 Temperature: 1.250000 Total energy: -17.707546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.707546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.707546 (E_RNA) where: Base-Base interactions energy: -3.011 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.146 local terms energy: -14.551292 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -3.789 flat angles C4'-P-C4' energy: -5.855 flat angles P-C4'-P energy: -2.317 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: 9, replica: 2 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -21.568612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.568612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.568612 (E_RNA) where: Base-Base interactions energy: -3.956 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.038 local terms energy: -17.574456 where: bonds (distance) C4'-P energy: -2.932 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.670 flat angles P-C4'-P energy: -3.719 tors. eta vs tors. theta energy: -0.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -19.877980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.877980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.877980 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.877733 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.431 flat angles P-C4'-P energy: -4.159 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: 1, replica: 7 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -21.475871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.475871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.475871 (E_RNA) where: Base-Base interactions energy: -2.870 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -18.584895 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.205 flat angles P-C4'-P energy: -3.509 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: 2, replica: 10 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -22.490057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.490057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.490057 (E_RNA) where: Base-Base interactions energy: -1.411 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.052 local terms energy: -21.027536 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -4.359 tors. eta vs tors. theta energy: -1.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -20.824461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.824461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.824461 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.824451 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.721 flat angles P-C4'-P energy: -4.742 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: 4, replica: 1 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -20.917534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.917534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.917534 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.917529 where: bonds (distance) C4'-P energy: -4.654 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.533 flat angles P-C4'-P energy: -4.561 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: 9 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -20.007771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.007771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.007771 (E_RNA) where: Base-Base interactions energy: 0.900 where: short stacking energy: 0.900 Base-Backbone interact. energy: -0.005 local terms energy: -20.903050 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.399 flat angles P-C4'-P energy: -3.890 tors. eta vs tors. theta energy: -0.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -22.856858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.856858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.856858 (E_RNA) where: Base-Base interactions energy: -4.864 where: short stacking energy: 0.430 Base-Backbone interact. energy: -0.164 local terms energy: -17.828680 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -3.347 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: 7, replica: 4 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -20.581185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.581185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.581185 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.581132 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.750 flat angles P-C4'-P energy: -4.143 tors. eta vs tors. theta energy: -2.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -21.430271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.430271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.430271 (E_RNA) where: Base-Base interactions energy: -4.475 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.514 local terms energy: -16.441386 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -2.705 flat angles P-C4'-P energy: -2.652 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: 8 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -20.432574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.432574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.432574 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.644 local terms energy: -18.788228 where: bonds (distance) C4'-P energy: -4.186 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -2.690 tors. eta vs tors. theta energy: -1.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -19.011461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.011461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.011461 (E_RNA) where: Base-Base interactions energy: -0.638 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -18.344401 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -2.291 flat angles P-C4'-P energy: -3.392 tors. eta vs tors. theta energy: -2.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -21.620832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.620832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.620832 (E_RNA) where: Base-Base interactions energy: -6.005 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.110 local terms energy: -15.505778 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -3.540 flat angles C4'-P-C4' energy: -4.763 flat angles P-C4'-P energy: -3.535 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: 2, replica: 7 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -22.076999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.076999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.076999 (E_RNA) where: Base-Base interactions energy: -0.022 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.068 local terms energy: -21.986934 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -4.119 tors. eta vs tors. theta energy: -2.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -22.067738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.067738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.067738 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.067634 where: bonds (distance) C4'-P energy: -5.097 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -4.551 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: 4, replica: 6 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -20.302315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.302315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.302315 (E_RNA) where: Base-Base interactions energy: 0.248 where: short stacking energy: 0.248 Base-Backbone interact. energy: -0.000 local terms energy: -20.550605 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -3.424 flat angles P-C4'-P energy: -4.350 tors. eta vs tors. theta energy: -2.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -22.651650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.651650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.651650 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.066 local terms energy: -22.585706 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -1.895 tors. eta vs tors. theta energy: -3.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -20.550451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.550451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.550451 (E_RNA) where: Base-Base interactions energy: -1.822 where: short stacking energy: 0.033 Base-Backbone interact. energy: -0.001 local terms energy: -18.727782 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -3.607 flat angles P-C4'-P energy: -4.172 tors. eta vs tors. theta energy: -0.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -22.425346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.425346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.425346 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -22.416301 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.490 flat angles P-C4'-P energy: -3.606 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: 8, replica: 4 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -19.722188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.722188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.722188 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.089 local terms energy: -18.633267 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.821 flat angles P-C4'-P energy: -3.090 tors. eta vs tors. theta energy: -0.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -18.204578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.204578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.204578 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -18.200831 where: bonds (distance) C4'-P energy: -4.253 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.185 flat angles P-C4'-P energy: -4.255 tors. eta vs tors. theta energy: 0.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -18.748148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.748148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.748148 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -18.731584 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -2.957 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: 1, replica: 10 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -22.199986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.199986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.199986 (E_RNA) where: Base-Base interactions energy: -5.571 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.211 local terms energy: -16.418531 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.075 flat angles C4'-P-C4' energy: -5.256 flat angles P-C4'-P energy: -4.399 tors. eta vs tors. theta energy: 3.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -22.820553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.820553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.820553 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -22.920550 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.159 flat angles P-C4'-P energy: -3.182 tors. eta vs tors. theta energy: -3.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -21.005301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.005301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.005301 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.054 local terms energy: -20.951746 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -3.207 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: 5 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -21.758645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.758645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.758645 (E_RNA) where: Base-Base interactions energy: -2.952 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.864 local terms energy: -17.943346 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.566 flat angles P-C4'-P energy: -2.445 tors. eta vs tors. theta energy: 0.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -21.902886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.902886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.902886 (E_RNA) where: Base-Base interactions energy: 0.024 where: short stacking energy: 0.024 Base-Backbone interact. energy: -0.000 local terms energy: -21.926765 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -4.379 tors. eta vs tors. theta energy: -2.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -20.976517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.976517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.976517 (E_RNA) where: Base-Base interactions energy: -4.525 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.045 local terms energy: -16.406334 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -5.057 flat angles P-C4'-P energy: -4.018 tors. eta vs tors. theta energy: 1.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -19.704704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.704704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.704704 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.702130 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.808 flat angles P-C4'-P energy: -2.702 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: 8, replica: 4 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -23.391944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.391944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.391944 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.391882 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.191 flat angles P-C4'-P energy: -4.468 tors. eta vs tors. theta energy: -4.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -18.449224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.449224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.449224 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.342 local terms energy: -18.106850 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.180 flat angles P-C4'-P energy: -4.351 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: 10, replica: 8 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -18.704066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.704066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.704066 (E_RNA) where: Base-Base interactions energy: -4.577 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -14.027659 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -3.517 flat angles P-C4'-P energy: -3.402 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: 1 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -20.881097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.881097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.881097 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -20.865066 where: bonds (distance) C4'-P energy: -5.143 bonds (distance) P-C4' energy: -5.047 flat angles C4'-P-C4' energy: -4.946 flat angles P-C4'-P energy: -4.172 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: 2, replica: 10 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -23.066272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.066272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.066272 (E_RNA) where: Base-Base interactions energy: -2.266 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.148 local terms energy: -20.651307 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -4.767 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: 5 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -20.499136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.499136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.499136 (E_RNA) where: Base-Base interactions energy: -1.841 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.032 local terms energy: -18.626334 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.094 flat angles P-C4'-P energy: -4.178 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: 4, replica: 7 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -20.795444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.795444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.795444 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.795288 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.911 flat angles P-C4'-P energy: -3.219 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: 5, replica: 6 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -20.355410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.355410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.355410 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.355376 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -4.656 tors. eta vs tors. theta energy: 0.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -20.297745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.297745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.297745 (E_RNA) where: Base-Base interactions energy: -5.210 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -14.987100 where: bonds (distance) C4'-P energy: -4.124 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -3.863 flat angles P-C4'-P energy: -1.784 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: 7, replica: 4 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -22.570800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.570800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.570800 (E_RNA) where: Base-Base interactions energy: -1.099 where: short stacking energy: 1.480 Base-Backbone interact. energy: -0.001 local terms energy: -21.470722 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -3.152 flat angles C4'-P-C4' energy: -5.344 flat angles P-C4'-P energy: -4.451 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: 8, replica: 9 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -19.534886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.534886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.534886 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.533105 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -5.697 flat angles P-C4'-P energy: -4.515 tors. eta vs tors. theta energy: 0.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -18.276674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.276674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.276674 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.069 local terms energy: -18.207690 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -4.528 flat angles P-C4'-P energy: -3.839 tors. eta vs tors. theta energy: 0.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -20.461956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.461956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.461956 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -20.561542 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -2.793 tors. eta vs tors. theta energy: -3.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -20.974451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.974451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.974451 (E_RNA) where: Base-Base interactions energy: -3.479 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -17.396117 where: bonds (distance) C4'-P energy: -3.659 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -2.246 flat angles P-C4'-P energy: -3.670 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: 2, replica: 5 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -22.184173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.184173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.184173 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -22.177685 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.006 flat angles P-C4'-P energy: -3.607 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: 3, replica: 10 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -21.199532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.199532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.199532 (E_RNA) where: Base-Base interactions energy: -2.722 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.120 local terms energy: -18.357089 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.149 flat angles P-C4'-P energy: -3.705 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: 4, replica: 7 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -22.563648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.563648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.563648 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.563648 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.062 flat angles P-C4'-P energy: -2.899 tors. eta vs tors. theta energy: -3.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -21.240926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.240926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.240926 (E_RNA) where: Base-Base interactions energy: -1.915 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -19.225340 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.935 flat angles P-C4'-P energy: -3.247 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: 4 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -21.235991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.235991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.235991 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.364 local terms energy: -19.871570 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.209 flat angles C4'-P-C4' energy: -3.889 flat angles P-C4'-P energy: -3.826 tors. eta vs tors. theta energy: -2.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -20.640915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.640915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.640915 (E_RNA) where: Base-Base interactions energy: -2.469 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.113 local terms energy: -18.058115 where: bonds (distance) C4'-P energy: -4.253 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -4.189 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: 8, replica: 8 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -20.406601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.406601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.406601 (E_RNA) where: Base-Base interactions energy: -2.528 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.026 local terms energy: -17.851666 where: bonds (distance) C4'-P energy: -2.824 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.763 flat angles P-C4'-P energy: -3.365 tors. eta vs tors. theta energy: -1.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -19.720490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.720490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.720490 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.065 local terms energy: -19.655223 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.656 flat angles P-C4'-P energy: -4.294 tors. eta vs tors. theta energy: 1.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -20.315285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.315285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.315285 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.315285 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.997 flat angles P-C4'-P energy: -3.588 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: 1, replica: 5 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -23.043416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.043416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.043416 (E_RNA) where: Base-Base interactions energy: -4.404 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.134 local terms energy: -18.504807 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.382 flat angles P-C4'-P energy: -3.107 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: 1 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -20.639506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.639506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.639506 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.638334 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -2.041 tors. eta vs tors. theta energy: -2.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -22.735104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.735104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.735104 (E_RNA) where: Base-Base interactions energy: -3.128 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.605701 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.745 flat angles P-C4'-P energy: -4.299 tors. eta vs tors. theta energy: -1.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -21.088571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.088571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.088571 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.086836 where: bonds (distance) C4'-P energy: -3.896 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -1.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -20.100880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.100880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.100880 (E_RNA) where: Base-Base interactions energy: -4.118 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -15.980304 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -2.627 flat angles P-C4'-P energy: -1.339 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: 6, replica: 6 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -19.937096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.937096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.937096 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.934467 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.756 flat angles P-C4'-P energy: -3.941 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: 7, replica: 8 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -21.597715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.597715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.597715 (E_RNA) where: Base-Base interactions energy: -3.283 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -18.309190 where: bonds (distance) C4'-P energy: -3.830 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.157 flat angles P-C4'-P energy: -2.901 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: 2 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -22.792649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.792649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.792649 (E_RNA) where: Base-Base interactions energy: -0.677 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.121 local terms energy: -21.994579 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.298 flat angles P-C4'-P energy: -4.454 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: 9, replica: 3 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -19.508898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.508898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.508898 (E_RNA) where: Base-Base interactions energy: -4.689 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.070 local terms energy: -14.749902 where: bonds (distance) C4'-P energy: -2.878 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -2.524 tors. eta vs tors. theta energy: 0.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -20.974154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.974154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.974154 (E_RNA) where: Base-Base interactions energy: 0.016 where: short stacking energy: 0.016 Base-Backbone interact. energy: -0.011 local terms energy: -20.978629 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.740 flat angles P-C4'-P energy: -4.797 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: 1, replica: 5 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -21.678378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.678378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.678378 (E_RNA) where: Base-Base interactions energy: -3.825 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.170 local terms energy: -17.683568 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.738 flat angles P-C4'-P energy: -3.267 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: 2, replica: 10 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -24.236663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.236663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.236663 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -24.236656 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.723 flat angles P-C4'-P energy: -4.580 tors. eta vs tors. theta energy: -3.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -21.433686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.433686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.433686 (E_RNA) where: Base-Base interactions energy: -6.177 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.131 local terms energy: -15.125851 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -5.044 flat angles P-C4'-P energy: -1.921 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: 4, replica: 4 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -22.000910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.000910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.000910 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.000904 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.868 flat angles P-C4'-P energy: -3.610 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: 5, replica: 7 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -22.053927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.053927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.053927 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -22.041316 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.034 flat angles P-C4'-P energy: -2.806 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: 6, replica: 8 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -19.498529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.498529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.498529 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.493744 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.515 flat angles P-C4'-P energy: -3.999 tors. eta vs tors. theta energy: -2.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -21.428499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.428499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.428499 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.428496 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -4.087 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: 8, replica: 3 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -19.353276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.353276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.353276 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -19.254586 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.427 flat angles P-C4'-P energy: -3.873 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: 9, replica: 2 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -19.340722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.340722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.340722 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -19.318758 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -3.848 tors. eta vs tors. theta energy: 0.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -20.931541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.931541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.931541 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.931540 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -3.742 tors. eta vs tors. theta energy: -0.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -21.467787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.467787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.467787 (E_RNA) where: Base-Base interactions energy: -4.886 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.165 local terms energy: -16.416468 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.582 flat angles P-C4'-P energy: -4.492 tors. eta vs tors. theta energy: 2.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -20.589049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.589049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.589049 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.587044 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -3.118 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: 4 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -21.292263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.292263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.292263 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.291752 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.411 flat angles P-C4'-P energy: -4.140 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: 4, replica: 1 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -19.826244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.826244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.826244 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.038 local terms energy: -19.788297 where: bonds (distance) C4'-P energy: -4.431 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -3.622 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: 5, replica: 8 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -20.129404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.129404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.129404 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.355 local terms energy: -20.484355 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -5.133 flat angles P-C4'-P energy: -2.778 tors. eta vs tors. theta energy: -1.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -20.204525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.204525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.204525 (E_RNA) where: Base-Base interactions energy: 0.071 where: short stacking energy: 0.071 Base-Backbone interact. energy: -0.000 local terms energy: -20.275971 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.365 flat angles P-C4'-P energy: -3.839 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: 7, replica: 3 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -22.455280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.455280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.455280 (E_RNA) where: Base-Base interactions energy: -5.109 where: short stacking energy: 0.076 Base-Backbone interact. energy: -0.086 local terms energy: -17.260135 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -4.922 flat angles P-C4'-P energy: -4.252 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: 8, replica: 6 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -19.300643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.300643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.300643 (E_RNA) where: Base-Base interactions energy: -2.729 where: short stacking energy: 0.090 Base-Backbone interact. energy: -0.101 local terms energy: -16.470565 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -2.099 flat angles P-C4'-P energy: -3.961 tors. eta vs tors. theta energy: -0.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -19.148703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.148703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.148703 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.102 local terms energy: -19.046322 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.110 flat angles P-C4'-P energy: -4.313 tors. eta vs tors. theta energy: 0.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -20.599128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.599128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.599128 (E_RNA) where: Base-Base interactions energy: 0.453 where: short stacking energy: 0.781 Base-Backbone interact. energy: -0.096 local terms energy: -20.956002 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -4.201 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: 10 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -27.511615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.511615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.511615 (E_RNA) where: Base-Base interactions energy: -10.144 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.063 local terms energy: -17.305168 where: bonds (distance) C4'-P energy: -3.615 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -3.937 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: 2, replica: 4 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -22.897394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.897394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.897394 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -22.805059 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -4.344 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: 5 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -22.169386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.169386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.169386 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -22.166148 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -4.938 tors. eta vs tors. theta energy: -2.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -20.157986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.157986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.157986 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -20.151476 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.033 flat angles P-C4'-P energy: -2.990 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: 5, replica: 1 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -21.115300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.115300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.115300 (E_RNA) where: Base-Base interactions energy: -2.323 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.790014 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -1.973 flat angles P-C4'-P energy: -4.264 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: 3 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -20.236008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.236008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.236008 (E_RNA) where: Base-Base interactions energy: 0.768 where: short stacking energy: 0.768 Base-Backbone interact. energy: -1.280 local terms energy: -19.724239 where: bonds (distance) C4'-P energy: -4.062 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.827 flat angles P-C4'-P energy: -3.263 tors. eta vs tors. theta energy: -1.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -21.802952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.802952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.802952 (E_RNA) where: Base-Base interactions energy: -1.168 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.005 local terms energy: -20.629190 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -4.208 flat angles P-C4'-P energy: -3.982 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: 441 Temperature: 1.250000 Total energy: -21.048667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.048667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.048667 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.048479 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -4.055 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: 9, replica: 6 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -22.192854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.192854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.192854 (E_RNA) where: Base-Base interactions energy: -4.946 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.144 local terms energy: -17.102572 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.993 flat angles P-C4'-P energy: -3.842 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: 10, replica: 2 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -19.907822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.907822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.907822 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.026 local terms energy: -19.881608 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -4.447 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: 1, replica: 4 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -21.881319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.881319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.881319 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.881318 where: bonds (distance) C4'-P energy: -3.570 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.272 flat angles P-C4'-P energy: -4.702 tors. eta vs tors. theta energy: -3.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -23.750123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.750123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.750123 (E_RNA) where: Base-Base interactions energy: -4.766 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.068 local terms energy: -18.915974 where: bonds (distance) C4'-P energy: -3.359 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -4.116 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: 3, replica: 8 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -20.880811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.880811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.880811 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.880788 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.689 flat angles P-C4'-P energy: -4.304 tors. eta vs tors. theta energy: -2.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -22.175496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.175496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.175496 (E_RNA) where: Base-Base interactions energy: -3.714 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -18.440619 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -2.015 flat angles P-C4'-P energy: -3.980 tors. eta vs tors. theta energy: -1.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -19.217010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.217010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.217010 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.043 local terms energy: -19.173583 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -4.565 flat angles P-C4'-P energy: -3.239 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: 1 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -19.435284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.435284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.435284 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.434232 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.381 flat angles P-C4'-P energy: -3.951 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: 442 Temperature: 1.200000 Total energy: -21.295333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.295333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.295333 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.295265 where: bonds (distance) C4'-P energy: -3.251 bonds (distance) P-C4' energy: -4.618 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -4.017 tors. eta vs tors. theta energy: -4.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -21.436257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.436257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.436257 (E_RNA) where: Base-Base interactions energy: -4.739 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.102 local terms energy: -16.595329 where: bonds (distance) C4'-P energy: -4.178 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -4.756 flat angles P-C4'-P energy: -3.329 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: 2 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -21.991424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.991424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.991424 (E_RNA) where: Base-Base interactions energy: -2.942 where: short stacking energy: 0.365 Base-Backbone interact. energy: -0.000 local terms energy: -19.049472 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -4.948 flat angles C4'-P-C4' energy: -3.526 flat angles P-C4'-P energy: -3.403 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: 10, replica: 6 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -18.803269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.803269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.803269 (E_RNA) where: Base-Base interactions energy: -1.561 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.077 local terms energy: -17.165658 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -2.493 flat angles P-C4'-P energy: -4.531 tors. eta vs tors. theta energy: 1.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -21.446498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.446498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.446498 (E_RNA) where: Base-Base interactions energy: 0.271 where: short stacking energy: 0.271 Base-Backbone interact. energy: -0.002 local terms energy: -21.715867 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.087 flat angles P-C4'-P energy: -3.594 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: 2, replica: 8 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -22.100264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.100264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.100264 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -22.080743 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.072 flat angles P-C4'-P energy: -3.721 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: 10 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -21.835013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.835013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.835013 (E_RNA) where: Base-Base interactions energy: -4.781 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -17.053395 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -2.986 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: 4, replica: 3 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -20.660443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.660443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.660443 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -20.645596 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.460 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -3.291 tors. eta vs tors. theta energy: -1.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -20.912382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.912382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.912382 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -20.904022 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -2.948 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: 6, replica: 9 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -20.197053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.197053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.197053 (E_RNA) where: Base-Base interactions energy: -1.774 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.422041 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -3.649 flat angles P-C4'-P energy: -3.806 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: 1 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -22.009519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.009519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.009519 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.009474 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.409 flat angles P-C4'-P energy: -4.196 tors. eta vs tors. theta energy: -3.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -20.227254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.227254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.227254 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -20.127222 where: bonds (distance) C4'-P energy: -3.660 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.826 flat angles P-C4'-P energy: -4.638 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: 9, replica: 7 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -19.048527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.048527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.048527 (E_RNA) where: Base-Base interactions energy: 0.253 where: short stacking energy: 0.253 Base-Backbone interact. energy: -0.002 local terms energy: -19.299627 where: bonds (distance) C4'-P energy: -4.477 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.026 flat angles P-C4'-P energy: -3.041 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: 10, replica: 6 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -18.136167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.136167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.136167 (E_RNA) where: Base-Base interactions energy: -2.530 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -15.585806 where: bonds (distance) C4'-P energy: -2.922 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -3.719 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: 8 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -22.923702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.923702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.923702 (E_RNA) where: Base-Base interactions energy: -4.543 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.141 local terms energy: -18.239923 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.068 flat angles P-C4'-P energy: -3.466 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: 4 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -22.127004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.127004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.127004 (E_RNA) where: Base-Base interactions energy: -4.729 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.161 local terms energy: -17.236952 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.534 flat angles P-C4'-P energy: -4.054 tors. eta vs tors. theta energy: 2.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -20.988350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.988350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.988350 (E_RNA) where: Base-Base interactions energy: -5.351 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -15.634456 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.635 flat angles P-C4'-P energy: -1.730 tors. eta vs tors. theta energy: 1.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -21.204297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.204297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.204297 (E_RNA) where: Base-Base interactions energy: 0.401 where: short stacking energy: 0.401 Base-Backbone interact. energy: 0.071 local terms energy: -21.677039 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.264 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: -2.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -19.499691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.499691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.499691 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -19.488090 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: -4.265 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: 6, replica: 5 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -20.118296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.118296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.118296 (E_RNA) where: Base-Base interactions energy: -5.570 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.254 local terms energy: -14.293916 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -4.450 tors. eta vs tors. theta energy: 4.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -20.234077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.234077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.234077 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.234032 where: bonds (distance) C4'-P energy: -3.942 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -4.213 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: 8, replica: 1 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -19.809860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.809860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.809860 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.276 local terms energy: -18.533496 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -3.275 tors. eta vs tors. theta energy: 1.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -18.738907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.738907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.738907 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -18.723364 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -2.864 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: 7 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -19.640290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.640290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.640290 (E_RNA) where: Base-Base interactions energy: 0.183 where: short stacking energy: 0.183 Base-Backbone interact. energy: -0.000 local terms energy: -19.822642 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.677 flat angles P-C4'-P energy: -3.226 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: 8 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -22.937509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.937509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.937509 (E_RNA) where: Base-Base interactions energy: -4.368 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -18.562051 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.070 flat angles P-C4'-P energy: -3.696 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: 2, replica: 3 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -19.767466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.767466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.767466 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -19.756631 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -3.870 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: 4 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -19.075179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.075179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.075179 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -19.060112 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.218 flat angles P-C4'-P energy: -2.972 tors. eta vs tors. theta energy: -0.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -19.375523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.375523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.375523 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.564 local terms energy: -18.811727 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.740 flat angles P-C4'-P energy: -3.448 tors. eta vs tors. theta energy: -0.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -20.801356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.801356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.801356 (E_RNA) where: Base-Base interactions energy: -4.449 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -16.344793 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -3.653 flat angles P-C4'-P energy: -3.848 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: 6, replica: 2 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -21.030750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.030750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.030750 (E_RNA) where: Base-Base interactions energy: -4.523 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.095 local terms energy: -16.412319 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.960 flat angles P-C4'-P energy: -3.995 tors. eta vs tors. theta energy: 1.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -19.630584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.630584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.630584 (E_RNA) where: Base-Base interactions energy: 0.397 where: short stacking energy: 0.397 Base-Backbone interact. energy: -0.020 local terms energy: -20.007536 where: bonds (distance) C4'-P energy: -4.919 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -4.375 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: -1.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -21.967050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.967050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.967050 (E_RNA) where: Base-Base interactions energy: 0.032 where: short stacking energy: 0.032 Base-Backbone interact. energy: -0.020 local terms energy: -21.979298 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -3.562 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: 9, replica: 1 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -19.541234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.541234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.541234 (E_RNA) where: Base-Base interactions energy: -4.299 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.361 local terms energy: -14.880636 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -2.778 flat angles P-C4'-P energy: -3.286 tors. eta vs tors. theta energy: 2.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -18.786212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.786212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.786212 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.011 local terms energy: -18.975453 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.846 flat angles P-C4'-P energy: -3.462 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: 1, replica: 3 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -21.695552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.695552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.695552 (E_RNA) where: Base-Base interactions energy: -5.076 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.146 local terms energy: -16.473826 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -1.665 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: 2, replica: 8 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -23.550923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.550923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.550923 (E_RNA) where: Base-Base interactions energy: -2.149 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -21.397044 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.649 flat angles P-C4'-P energy: -3.741 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: 3, replica: 9 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -21.771170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.771170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.771170 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.769897 where: bonds (distance) C4'-P energy: -3.995 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -4.094 tors. eta vs tors. theta energy: -2.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -21.496146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.496146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.496146 (E_RNA) where: Base-Base interactions energy: -5.641 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.041 local terms energy: -15.814246 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.437 flat angles P-C4'-P energy: -3.140 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: 5, replica: 10 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -21.027599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.027599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.027599 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.058 local terms energy: -20.969569 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -3.989 flat angles P-C4'-P energy: -4.444 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: 6, replica: 2 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -19.683882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.683882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.683882 (E_RNA) where: Base-Base interactions energy: 0.015 where: short stacking energy: 0.051 Base-Backbone interact. energy: -0.042 local terms energy: -19.656748 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.431 flat angles P-C4'-P energy: -3.358 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: 7, replica: 6 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -20.156515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.156515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.156515 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.000 local terms energy: -20.556067 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -4.439 tors. eta vs tors. theta energy: 0.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -18.946047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.946047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.946047 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -18.925559 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -5.431 flat angles P-C4'-P energy: -4.214 tors. eta vs tors. theta energy: 1.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -19.396783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.396783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.396783 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -19.302606 where: bonds (distance) C4'-P energy: -4.315 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -3.726 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: 1 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -21.676200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.676200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.676200 (E_RNA) where: Base-Base interactions energy: -1.364 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.823 local terms energy: -19.489235 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -3.725 tors. eta vs tors. theta energy: 0.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -19.745960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.745960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.745960 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.175 local terms energy: -19.570468 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.895 flat angles P-C4'-P energy: -3.852 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: 9 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -21.888873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.888873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.888873 (E_RNA) where: Base-Base interactions energy: -7.804 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -13.988592 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -3.568 flat angles C4'-P-C4' energy: -3.997 flat angles P-C4'-P energy: -3.326 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: 8 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -21.556913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.556913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.556913 (E_RNA) where: Base-Base interactions energy: -2.581 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.102 local terms energy: -18.873910 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -4.123 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: 4, replica: 10 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -19.104140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.104140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.104140 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.104138 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -3.018 flat angles P-C4'-P energy: -3.557 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: 5, replica: 4 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -19.976903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.976903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.976903 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.070 local terms energy: -19.907230 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.509 flat angles P-C4'-P energy: -4.285 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: 6 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -20.199454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.199454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.199454 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.199 local terms energy: -20.000511 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.795 flat angles P-C4'-P energy: -4.202 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: 7, replica: 2 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -21.447405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.447405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.447405 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.446855 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.567 flat angles P-C4'-P energy: -3.619 tors. eta vs tors. theta energy: -2.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -19.580662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.580662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.580662 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.580433 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.077 flat angles P-C4'-P energy: -3.485 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: 5 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -19.048169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.048169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.048169 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 1.143 local terms energy: -20.190839 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -4.258 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -3.679 tors. eta vs tors. theta energy: -2.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -19.617578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.617578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.617578 (E_RNA) where: Base-Base interactions energy: -3.220 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -16.301049 where: bonds (distance) C4'-P energy: -3.528 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -3.930 flat angles P-C4'-P energy: -3.367 tors. eta vs tors. theta energy: 0.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -24.032021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.032021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.032021 (E_RNA) where: Base-Base interactions energy: -4.196 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.832103 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.424 flat angles P-C4'-P energy: -3.699 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: 2, replica: 3 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -21.492788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.492788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.492788 (E_RNA) where: Base-Base interactions energy: -3.967 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -17.515706 where: bonds (distance) C4'-P energy: -3.686 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.997 flat angles P-C4'-P energy: -2.723 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: 3, replica: 10 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -23.124064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.124064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.124064 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.124045 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.206 flat angles P-C4'-P energy: -4.468 tors. eta vs tors. theta energy: -4.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -23.035301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.035301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.035301 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -23.000565 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -3.930 tors. eta vs tors. theta energy: -2.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -21.150906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.150906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.150906 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.150311 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -4.740 flat angles C4'-P-C4' energy: -4.197 flat angles P-C4'-P energy: -4.743 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: 448 Temperature: 1.150000 Total energy: -23.370694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.370694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.370694 (E_RNA) where: Base-Base interactions energy: -2.751 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.620042 where: bonds (distance) C4'-P energy: -5.714 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.534 flat angles P-C4'-P energy: -4.316 tors. eta vs tors. theta energy: -1.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -19.683170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.683170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.683170 (E_RNA) where: Base-Base interactions energy: -5.374 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.103 local terms energy: -14.205739 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.321 flat angles P-C4'-P energy: -1.980 tors. eta vs tors. theta energy: 2.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -20.334834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.334834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.334834 (E_RNA) where: Base-Base interactions energy: -0.586 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -19.718230 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.541 flat angles P-C4'-P energy: -4.070 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: 1 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -21.171865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.171865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.171865 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.169971 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -2.872 tors. eta vs tors. theta energy: -1.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -21.165485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.165485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.165485 (E_RNA) where: Base-Base interactions energy: -4.647 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.459 local terms energy: -16.059911 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.203 flat angles P-C4'-P energy: -3.006 tors. eta vs tors. theta energy: 1.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -22.775341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.775341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.775341 (E_RNA) where: Base-Base interactions energy: -2.527 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.247714 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.742 flat angles P-C4'-P energy: -3.511 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: 10 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -22.538410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.538410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.538410 (E_RNA) where: Base-Base interactions energy: 0.103 where: short stacking energy: 0.103 Base-Backbone interact. energy: -0.048 local terms energy: -22.593549 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.245 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -3.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -21.827572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.827572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.827572 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -21.807507 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.672 flat angles C4'-P-C4' energy: -5.612 flat angles P-C4'-P energy: -3.003 tors. eta vs tors. theta energy: -3.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -19.752535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.752535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.752535 (E_RNA) where: Base-Base interactions energy: -1.101 where: short stacking energy: 0.468 Base-Backbone interact. energy: -0.100 local terms energy: -18.551347 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -5.402 flat angles P-C4'-P energy: -2.276 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: 8 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -19.979033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.979033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.979033 (E_RNA) where: Base-Base interactions energy: -4.061 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -15.826852 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.365 flat angles P-C4'-P energy: -4.450 tors. eta vs tors. theta energy: 3.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -20.924249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.924249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.924249 (E_RNA) where: Base-Base interactions energy: -5.501 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -15.325680 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.318 flat angles P-C4'-P energy: -4.570 tors. eta vs tors. theta energy: 3.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -20.291801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.291801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.291801 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -20.263999 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.337 flat angles P-C4'-P energy: -3.858 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: 1 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -21.312825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.312825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.312825 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -21.301199 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -4.025 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: 9, replica: 2 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -19.311842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.311842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.311842 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.307235 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.909 flat angles P-C4'-P energy: -3.289 tors. eta vs tors. theta energy: 0.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -18.724648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.724648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.724648 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.101 local terms energy: -18.623744 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -4.912 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: -0.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -24.456871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.456871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.456871 (E_RNA) where: Base-Base interactions energy: 0.382 where: short stacking energy: 0.382 Base-Backbone interact. energy: -0.000 local terms energy: -24.838663 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.609 flat angles P-C4'-P energy: -3.514 tors. eta vs tors. theta energy: -4.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -22.371251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.371251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.371251 (E_RNA) where: Base-Base interactions energy: -4.652 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.050 local terms energy: -17.669453 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.085 flat angles P-C4'-P energy: -1.747 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: 3, replica: 6 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -21.797134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.797134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.797134 (E_RNA) where: Base-Base interactions energy: -3.475 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.111 local terms energy: -18.210668 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.723 flat angles P-C4'-P energy: -4.247 tors. eta vs tors. theta energy: 1.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -19.965007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.965007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.965007 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -19.958685 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.882 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -1.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -21.899981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.899981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.899981 (E_RNA) where: Base-Base interactions energy: -1.733 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.166241 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -2.849 tors. eta vs tors. theta energy: -2.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -21.595490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.595490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.595490 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.595477 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.491 flat angles P-C4'-P energy: -3.617 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: 7, replica: 1 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -19.787919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.787919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.787919 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.065 local terms energy: -19.722670 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -3.635 tors. eta vs tors. theta energy: -0.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -21.097153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.097153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.097153 (E_RNA) where: Base-Base interactions energy: -1.925 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.169705 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -2.239 flat angles P-C4'-P energy: -2.472 tors. eta vs tors. theta energy: -3.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -19.750817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.750817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.750817 (E_RNA) where: Base-Base interactions energy: -5.232 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -14.421032 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -3.742 flat angles P-C4'-P energy: -2.425 tors. eta vs tors. theta energy: 1.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -18.851116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.851116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.851116 (E_RNA) where: Base-Base interactions energy: 0.466 where: short stacking energy: 0.466 Base-Backbone interact. energy: -0.097 local terms energy: -19.220141 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.189 flat angles P-C4'-P energy: -3.651 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: 451 Temperature: 0.900000 Total energy: -21.698460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.698460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.698460 (E_RNA) where: Base-Base interactions energy: -1.529 where: short stacking energy: 0.333 Base-Backbone interact. energy: -0.119 local terms energy: -20.050899 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.446 flat angles P-C4'-P energy: -4.837 tors. eta vs tors. theta energy: -1.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -22.814131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.814131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.814131 (E_RNA) where: Base-Base interactions energy: -5.044 where: short stacking energy: 0.412 Base-Backbone interact. energy: -0.009 local terms energy: -17.760869 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -3.899 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: 3, replica: 9 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -21.534329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.534329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.534329 (E_RNA) where: Base-Base interactions energy: -0.723 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -20.807011 where: bonds (distance) C4'-P energy: -3.784 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -4.063 tors. eta vs tors. theta energy: -2.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -21.525299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.525299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.525299 (E_RNA) where: Base-Base interactions energy: -2.961 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.143 local terms energy: -17.421904 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.031 flat angles P-C4'-P energy: -3.069 tors. eta vs tors. theta energy: 0.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -21.610514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.610514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.610514 (E_RNA) where: Base-Base interactions energy: -4.644 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.019 local terms energy: -16.947392 where: bonds (distance) C4'-P energy: -4.191 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -3.079 tors. eta vs tors. theta energy: 1.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -21.629741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.629741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.629741 (E_RNA) where: Base-Base interactions energy: 0.684 where: short stacking energy: 0.684 Base-Backbone interact. energy: -0.000 local terms energy: -22.313380 where: bonds (distance) C4'-P energy: -3.747 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.361 flat angles P-C4'-P energy: -3.963 tors. eta vs tors. theta energy: -2.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -20.560167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.560167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.560167 (E_RNA) where: Base-Base interactions energy: -3.109 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.549 local terms energy: -16.902790 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.978 flat angles P-C4'-P energy: -3.141 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: 4 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -18.441877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.441877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.441877 (E_RNA) where: Base-Base interactions energy: -2.496 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.214 local terms energy: -15.732114 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.367 flat angles P-C4'-P energy: -3.719 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: 5 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -18.360657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.360657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.360657 (E_RNA) where: Base-Base interactions energy: 1.011 where: short stacking energy: 1.011 Base-Backbone interact. energy: -0.039 local terms energy: -19.333229 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.373 flat angles P-C4'-P energy: -4.749 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: 10, replica: 2 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -19.404667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.404667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.404667 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.404651 where: bonds (distance) C4'-P energy: -3.172 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -2.437 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: -3.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -21.953601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.953601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.953601 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.197 local terms energy: -21.756593 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: -0.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -21.474503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.474503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.474503 (E_RNA) where: Base-Base interactions energy: -4.373 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.636 local terms energy: -17.737269 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.619 flat angles P-C4'-P energy: -3.538 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: 3, replica: 3 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -20.973436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.973436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.973436 (E_RNA) where: Base-Base interactions energy: -5.196 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -15.763995 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.224 flat angles P-C4'-P energy: -4.739 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: 4, replica: 9 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -20.645806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.645806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.645806 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.151 local terms energy: -20.494915 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.851 flat angles P-C4'-P energy: -4.158 tors. eta vs tors. theta energy: 0.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -20.498684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.498684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.498684 (E_RNA) where: Base-Base interactions energy: -4.599 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.046 local terms energy: -15.854223 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.518 flat angles P-C4'-P energy: -2.903 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: 6, replica: 7 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -19.191523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.191523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.191523 (E_RNA) where: Base-Base interactions energy: -0.169 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.104 local terms energy: -18.918189 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.199 flat angles P-C4'-P energy: -3.311 tors. eta vs tors. theta energy: -0.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -20.715686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.715686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.715686 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.715680 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -3.879 flat angles P-C4'-P energy: -3.055 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: 8, replica: 8 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -19.360654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.360654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.360654 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -19.352768 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.427 flat angles P-C4'-P energy: -2.697 tors. eta vs tors. theta energy: -2.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -19.150041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.150041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.150041 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.144820 where: bonds (distance) C4'-P energy: -3.305 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.441 flat angles P-C4'-P energy: -3.897 tors. eta vs tors. theta energy: -2.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -19.605531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.605531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.605531 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.045 local terms energy: -19.560912 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.904 flat angles P-C4'-P energy: -2.199 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: 6 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -23.693463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.693463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.693463 (E_RNA) where: Base-Base interactions energy: -5.069 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.111 local terms energy: -18.513006 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.574 flat angles P-C4'-P energy: -3.409 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: 2, replica: 3 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -22.148037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.148037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.148037 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -22.139331 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -4.465 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: 453 Temperature: 1.000000 Total energy: -23.052865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.052865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.052865 (E_RNA) where: Base-Base interactions energy: -2.563 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.086 local terms energy: -20.404062 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.191 flat angles P-C4'-P energy: -2.600 tors. eta vs tors. theta energy: -2.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -23.347617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.347617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.347617 (E_RNA) where: Base-Base interactions energy: -4.448 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -18.868896 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -2.735 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: 5, replica: 9 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -19.840964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.840964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.840964 (E_RNA) where: Base-Base interactions energy: -0.247 where: short stacking energy: 0.844 Base-Backbone interact. energy: -1.171 local terms energy: -18.423555 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.770 flat angles P-C4'-P energy: -3.888 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: 6, replica: 4 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -19.018005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.018005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.018005 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.041 local terms energy: -18.976512 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.789 flat angles P-C4'-P energy: -4.312 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: 7, replica: 7 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -19.530026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.530026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.530026 (E_RNA) where: Base-Base interactions energy: -0.597 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.709 local terms energy: -18.223394 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -4.833 flat angles P-C4'-P energy: -3.847 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: 8, replica: 2 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -20.678847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.678847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.678847 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.677766 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.375 flat angles P-C4'-P energy: -3.197 tors. eta vs tors. theta energy: -0.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -19.410672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.410672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.410672 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.314 local terms energy: -19.096417 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -3.382 tors. eta vs tors. theta energy: 0.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -19.083197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.083197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.083197 (E_RNA) where: Base-Base interactions energy: 1.075 where: short stacking energy: 1.075 Base-Backbone interact. energy: -0.000 local terms energy: -20.158091 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.025 flat angles P-C4'-P energy: -2.794 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: 1, replica: 3 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -23.195880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.195880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.195880 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.195880 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -4.148 tors. eta vs tors. theta energy: -3.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -21.290617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.290617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.290617 (E_RNA) where: Base-Base interactions energy: -1.969 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.136 local terms energy: -19.185302 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -3.118 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: 1 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -20.849614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.849614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.849614 (E_RNA) where: Base-Base interactions energy: -0.716 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.025 local terms energy: -20.108790 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.234 flat angles P-C4'-P energy: -3.393 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: 4, replica: 10 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -22.364159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.364159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.364159 (E_RNA) where: Base-Base interactions energy: 0.491 where: short stacking energy: 0.491 Base-Backbone interact. energy: -0.000 local terms energy: -22.855581 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.149 flat angles P-C4'-P energy: -3.752 tors. eta vs tors. theta energy: -4.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -20.331202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.331202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.331202 (E_RNA) where: Base-Base interactions energy: -0.089 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.909 local terms energy: -19.333026 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.710 flat angles P-C4'-P energy: -4.560 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: 6, replica: 4 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -22.510270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.510270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.510270 (E_RNA) where: Base-Base interactions energy: -4.562 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.371 local terms energy: -17.577042 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.864 flat angles P-C4'-P energy: -3.736 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: 2 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -20.685885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.685885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.685885 (E_RNA) where: Base-Base interactions energy: 0.244 where: short stacking energy: 0.244 Base-Backbone interact. energy: -0.000 local terms energy: -20.929761 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.336 flat angles P-C4'-P energy: -4.230 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: 8, replica: 7 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -21.196635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.196635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.196635 (E_RNA) where: Base-Base interactions energy: -5.547 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -15.637090 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.657 flat angles P-C4'-P energy: -2.784 tors. eta vs tors. theta energy: 1.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -21.746593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.746593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.746593 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.746593 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.983 flat angles P-C4'-P energy: -3.036 tors. eta vs tors. theta energy: -2.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -19.711321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.711321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.711321 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -19.611709 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.378 flat angles P-C4'-P energy: -4.328 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: 1, replica: 3 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -23.111614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.111614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.111614 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -23.111066 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.775 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: -2.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -22.413837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.413837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.413837 (E_RNA) where: Base-Base interactions energy: -2.094 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.319478 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.217 flat angles P-C4'-P energy: -4.113 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: 3, replica: 6 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -20.809209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.809209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.809209 (E_RNA) where: Base-Base interactions energy: 0.135 where: short stacking energy: 0.135 Base-Backbone interact. energy: -0.130 local terms energy: -20.814102 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -3.498 tors. eta vs tors. theta energy: -1.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -20.973854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.973854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.973854 (E_RNA) where: Base-Base interactions energy: -1.278 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.693668 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -2.821 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: 5, replica: 10 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -20.262189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.262189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.262189 (E_RNA) where: Base-Base interactions energy: -6.090 where: short stacking energy: 0.028 Base-Backbone interact. energy: -0.048 local terms energy: -14.125040 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -3.737 flat angles P-C4'-P energy: -1.166 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: 6, replica: 2 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -20.864557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.864557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.864557 (E_RNA) where: Base-Base interactions energy: 0.078 where: short stacking energy: 0.078 Base-Backbone interact. energy: -0.001 local terms energy: -20.941411 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.226 flat angles P-C4'-P energy: -3.377 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: 7, replica: 4 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -21.675312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.675312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.675312 (E_RNA) where: Base-Base interactions energy: -2.216 where: short stacking energy: 0.226 Base-Backbone interact. energy: -0.002 local terms energy: -19.457246 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -3.226 tors. eta vs tors. theta energy: -0.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -19.914822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.914822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.914822 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.914628 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -4.561 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: 7 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -19.559667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.559667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.559667 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -19.550911 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -2.564 tors. eta vs tors. theta energy: -0.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -20.370936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.370936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.370936 (E_RNA) where: Base-Base interactions energy: -6.472 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.212 local terms energy: -13.687690 where: bonds (distance) C4'-P energy: -2.841 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -4.719 flat angles P-C4'-P energy: -3.366 tors. eta vs tors. theta energy: 1.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -22.549460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.549460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.549460 (E_RNA) where: Base-Base interactions energy: 0.162 where: short stacking energy: 0.162 Base-Backbone interact. energy: -0.001 local terms energy: -22.709907 where: bonds (distance) C4'-P energy: -4.281 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.975 flat angles P-C4'-P energy: -4.863 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: 3 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -22.924876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.924876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.924876 (E_RNA) where: Base-Base interactions energy: -2.429 where: short stacking energy: 0.270 Base-Backbone interact. energy: -0.015 local terms energy: -20.481277 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -4.360 flat angles C4'-P-C4' energy: -4.672 flat angles P-C4'-P energy: -4.216 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: 9 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -22.547787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.547787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.547787 (E_RNA) where: Base-Base interactions energy: -2.402 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.146221 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.834 flat angles P-C4'-P energy: -1.086 tors. eta vs tors. theta energy: -3.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -20.905976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.905976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.905976 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.905962 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -3.011 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: 2 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -21.163281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.163281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.163281 (E_RNA) where: Base-Base interactions energy: -5.299 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.103 local terms energy: -15.761207 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.134 flat angles P-C4'-P energy: -3.705 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: 6, replica: 10 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -20.495080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.495080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.495080 (E_RNA) where: Base-Base interactions energy: -3.066 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.351 local terms energy: -17.077627 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -3.765 flat angles C4'-P-C4' energy: -3.416 flat angles P-C4'-P energy: -2.681 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: 7, replica: 5 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -20.145466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.145466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.145466 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.025 local terms energy: -20.170840 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.984 flat angles P-C4'-P energy: -4.493 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: 8, replica: 4 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -21.272729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.272729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.272729 (E_RNA) where: Base-Base interactions energy: -4.973 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.078 local terms energy: -16.222064 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -4.814 flat angles C4'-P-C4' energy: -3.530 flat angles P-C4'-P energy: -3.655 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: 9, replica: 8 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -20.350226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.350226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.350226 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -20.260468 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.119 flat angles P-C4'-P energy: -4.332 tors. eta vs tors. theta energy: -0.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -19.385479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.385479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.385479 (E_RNA) where: Base-Base interactions energy: -4.014 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.279 local terms energy: -15.092670 where: bonds (distance) C4'-P energy: -2.840 bonds (distance) P-C4' energy: -4.547 flat angles C4'-P-C4' energy: -5.148 flat angles P-C4'-P energy: -4.047 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: 1, replica: 1 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -20.800077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.800077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.800077 (E_RNA) where: Base-Base interactions energy: -3.903 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -16.893698 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -2.961 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: 2, replica: 3 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -20.654522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.654522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.654522 (E_RNA) where: Base-Base interactions energy: 0.422 where: short stacking energy: 0.422 Base-Backbone interact. energy: 0.325 local terms energy: -21.401411 where: bonds (distance) C4'-P energy: -5.722 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.525 flat angles P-C4'-P energy: -2.053 tors. eta vs tors. theta energy: -1.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -23.111118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.111118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.111118 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.109 local terms energy: -23.001731 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.963 flat angles P-C4'-P energy: -4.853 tors. eta vs tors. theta energy: -2.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -19.845083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.845083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.845083 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.844103 where: bonds (distance) C4'-P energy: -4.601 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.359 flat angles P-C4'-P energy: -3.726 tors. eta vs tors. theta energy: -0.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -20.402082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.402082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.402082 (E_RNA) where: Base-Base interactions energy: -6.084 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -14.308164 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -1.432 flat angles P-C4'-P energy: -4.076 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: 6, replica: 5 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -21.192610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.192610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.192610 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.192419 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -3.855 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: 7, replica: 10 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -20.518751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.518751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.518751 (E_RNA) where: Base-Base interactions energy: -2.325 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -18.171163 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.594 flat angles P-C4'-P energy: -3.125 tors. eta vs tors. theta energy: 2.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -20.213032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.213032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.213032 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.685 local terms energy: -19.528233 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.346 flat angles P-C4'-P energy: -3.803 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: 9, replica: 4 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -17.689718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.689718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.689718 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -17.689291 where: bonds (distance) C4'-P energy: -4.240 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.432 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: 1.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -17.797173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.797173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.797173 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -17.767738 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.501 flat angles P-C4'-P energy: -3.152 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: 1, replica: 3 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -21.567983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.567983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.567983 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.080 local terms energy: -21.487658 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -5.678 flat angles P-C4'-P energy: -4.187 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: 2, replica: 1 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -21.876406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.876406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.876406 (E_RNA) where: Base-Base interactions energy: -4.580 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -17.269401 where: bonds (distance) C4'-P energy: -4.183 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.288 flat angles P-C4'-P energy: -3.648 tors. eta vs tors. theta energy: 0.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -21.076005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.076005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.076005 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.074419 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.225 flat angles P-C4'-P energy: -3.197 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: 4, replica: 9 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -21.222258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.222258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.222258 (E_RNA) where: Base-Base interactions energy: -4.355 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.299 local terms energy: -17.166151 where: bonds (distance) C4'-P energy: -3.197 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.681 flat angles P-C4'-P energy: -2.684 tors. eta vs tors. theta energy: 0.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -21.188542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.188542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.188542 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.182 local terms energy: -21.370621 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.437 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: -0.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -20.791274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.791274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.791274 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.058 local terms energy: -20.732886 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.611 flat angles P-C4'-P energy: -4.174 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: 8 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -19.058304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.058304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.058304 (E_RNA) where: Base-Base interactions energy: -0.519 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.539292 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.126 flat angles P-C4'-P energy: -2.162 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: 8, replica: 10 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -21.491495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.491495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.491495 (E_RNA) where: Base-Base interactions energy: -3.646 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.175 local terms energy: -17.670059 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.203 flat angles P-C4'-P energy: -2.797 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: 9, replica: 7 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -19.761133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.761133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.761133 (E_RNA) where: Base-Base interactions energy: -1.994 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -17.764397 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.058 flat angles P-C4'-P energy: -3.351 tors. eta vs tors. theta energy: 0.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -18.941103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.941103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.941103 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.940865 where: bonds (distance) C4'-P energy: -4.066 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.081 flat angles P-C4'-P energy: -4.420 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: 1, replica: 3 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -21.102289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.102289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.102289 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -21.090445 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -3.989 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: 2, replica: 2 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -21.990242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.990242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.990242 (E_RNA) where: Base-Base interactions energy: -0.055 where: short stacking energy: 0.104 Base-Backbone interact. energy: -0.420 local terms energy: -21.515807 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -4.525 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: 3, replica: 1 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -21.221313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.221313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.221313 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.034 local terms energy: -21.187752 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -3.395 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: 4, replica: 5 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -21.540454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.540454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.540454 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.540441 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -3.542 tors. eta vs tors. theta energy: -1.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -20.912530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.912530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.912530 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.912386 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.279 flat angles P-C4'-P energy: -2.146 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: 6, replica: 8 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -19.714294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.714294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.714294 (E_RNA) where: Base-Base interactions energy: -4.415 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -15.289591 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -2.964 tors. eta vs tors. theta energy: 2.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -20.932897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.932897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.932897 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -20.833894 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.543 flat angles P-C4'-P energy: -4.091 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: 8, replica: 7 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -20.372538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.372538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.372538 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.371526 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -4.121 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: 9, replica: 10 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -20.072516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.072516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.072516 (E_RNA) where: Base-Base interactions energy: -3.778 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -16.289269 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -3.738 flat angles P-C4'-P energy: -4.135 tors. eta vs tors. theta energy: -0.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -20.485202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.485202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.485202 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.019 local terms energy: -20.466410 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -4.370 tors. eta vs tors. theta energy: -0.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -21.638899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.638899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.638899 (E_RNA) where: Base-Base interactions energy: -5.631 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.112 local terms energy: -15.895841 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.824 flat angles P-C4'-P energy: -3.535 tors. eta vs tors. theta energy: 3.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -22.526317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.526317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.526317 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.526231 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.281 flat angles P-C4'-P energy: -4.553 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: 3, replica: 5 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -21.121114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.121114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.121114 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.120869 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.867 flat angles P-C4'-P energy: -3.528 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: 1 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -19.574346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.574346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.574346 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.118 local terms energy: -19.456531 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.300 flat angles P-C4'-P energy: -3.520 tors. eta vs tors. theta energy: -0.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -19.733956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.733956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.733956 (E_RNA) where: Base-Base interactions energy: -1.864 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.069 local terms energy: -17.801181 where: bonds (distance) C4'-P energy: -5.399 bonds (distance) P-C4' energy: -4.945 flat angles C4'-P-C4' energy: -3.173 flat angles P-C4'-P energy: -4.313 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: 6, replica: 8 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -20.113531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.113531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.113531 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.044 local terms energy: -20.069851 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.094 flat angles P-C4'-P energy: -3.526 tors. eta vs tors. theta energy: -1.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -21.244286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.244286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.244286 (E_RNA) where: Base-Base interactions energy: -4.732 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.112 local terms energy: -16.400203 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.269 flat angles P-C4'-P energy: -3.298 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: 8, replica: 6 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -20.396238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.396238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.396238 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.396105 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -2.223 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: 9, replica: 4 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -20.694467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.694467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.694467 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.693688 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -3.036 tors. eta vs tors. theta energy: -2.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -20.092614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.092614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.092614 (E_RNA) where: Base-Base interactions energy: -3.463 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -16.531284 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -2.375 flat angles P-C4'-P energy: -4.047 tors. eta vs tors. theta energy: 1.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -22.529347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.529347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.529347 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.529317 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: -4.323 tors. eta vs tors. theta energy: -2.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -23.101520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.101520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.101520 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.101516 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.919 flat angles P-C4'-P energy: -3.301 tors. eta vs tors. theta energy: -3.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -21.684738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.684738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.684738 (E_RNA) where: Base-Base interactions energy: -1.795 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.888566 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -4.767 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: 4, replica: 9 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -22.156589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.156589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.156589 (E_RNA) where: Base-Base interactions energy: -5.467 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.904 local terms energy: -15.785819 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.111 flat angles P-C4'-P energy: -2.245 tors. eta vs tors. theta energy: 2.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -21.440715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.440715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.440715 (E_RNA) where: Base-Base interactions energy: -5.818 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.068 local terms energy: -15.554862 where: bonds (distance) C4'-P energy: -4.447 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.810 flat angles P-C4'-P energy: -1.625 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: 6, replica: 7 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -24.823677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.823677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.823677 (E_RNA) where: Base-Base interactions energy: -5.919 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.026 local terms energy: -18.878173 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.577 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: 0.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -20.828130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.828130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.828130 (E_RNA) where: Base-Base interactions energy: -1.440 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.388292 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -3.325 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: 4 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -19.918582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.918582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.918582 (E_RNA) where: Base-Base interactions energy: -5.031 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.350 local terms energy: -14.537149 where: bonds (distance) C4'-P energy: -3.830 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -3.653 flat angles P-C4'-P energy: -3.160 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: 461 Temperature: 1.300000 Total energy: -19.123117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.123117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.123117 (E_RNA) where: Base-Base interactions energy: -1.739 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.032 local terms energy: -17.352410 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.353 flat angles P-C4'-P energy: -3.834 tors. eta vs tors. theta energy: 0.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -18.602301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.602301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.602301 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -18.599646 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.733 flat angles P-C4'-P energy: -2.584 tors. eta vs tors. theta energy: -0.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -23.279597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.279597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.279597 (E_RNA) where: Base-Base interactions energy: -5.573 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.039 local terms energy: -17.667585 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.048 flat angles P-C4'-P energy: -4.016 tors. eta vs tors. theta energy: 2.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -21.178855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.178855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.178855 (E_RNA) where: Base-Base interactions energy: -1.748 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.039 local terms energy: -19.391997 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.588 flat angles P-C4'-P energy: -4.259 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: 3, replica: 9 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -22.029947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.029947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.029947 (E_RNA) where: Base-Base interactions energy: -3.695 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.037 local terms energy: -18.297245 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.185 flat angles P-C4'-P energy: -3.027 tors. eta vs tors. theta energy: 0.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -21.760985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.760985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.760985 (E_RNA) where: Base-Base interactions energy: -5.467 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.417 local terms energy: -15.877037 where: bonds (distance) C4'-P energy: -3.498 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -4.487 tors. eta vs tors. theta energy: 2.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -20.594566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.594566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.594566 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.458 local terms energy: -21.052877 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -3.486 tors. eta vs tors. theta energy: -0.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -19.907907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.907907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.907907 (E_RNA) where: Base-Base interactions energy: -1.991 where: short stacking energy: 0.870 Base-Backbone interact. energy: -0.000 local terms energy: -17.917083 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -5.187 flat angles P-C4'-P energy: -2.422 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: 7, replica: 4 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -19.993898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.993898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.993898 (E_RNA) where: Base-Base interactions energy: -2.311 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.077 local terms energy: -17.605698 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -3.439 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: 8, replica: 8 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -18.539548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.539548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.539548 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.088 local terms energy: -18.451219 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.012 flat angles P-C4'-P energy: -3.875 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: 6 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -21.721999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.721999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.721999 (E_RNA) where: Base-Base interactions energy: -2.007 where: short stacking energy: 0.381 Base-Backbone interact. energy: -0.132 local terms energy: -19.583114 where: bonds (distance) C4'-P energy: -4.021 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.566 flat angles P-C4'-P energy: -4.041 tors. eta vs tors. theta energy: -1.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -20.287755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.287755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.287755 (E_RNA) where: Base-Base interactions energy: -4.917 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -15.350024 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -3.035 flat angles P-C4'-P energy: -3.953 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: 1, replica: 5 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -22.971573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.971573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.971573 (E_RNA) where: Base-Base interactions energy: -7.806 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.032 local terms energy: -15.133733 where: bonds (distance) C4'-P energy: -2.435 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -0.036 tors. eta vs tors. theta energy: -1.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -22.329696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.329696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.329696 (E_RNA) where: Base-Base interactions energy: -5.425 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.052 local terms energy: -16.853016 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.585 flat angles P-C4'-P energy: -3.373 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: 3, replica: 3 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -20.647707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.647707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.647707 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.647659 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.356 flat angles P-C4'-P energy: -4.097 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: 4, replica: 7 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -18.939400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.939400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.939400 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -18.936101 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.865 flat angles P-C4'-P energy: -2.333 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: 5, replica: 2 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -20.013201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.013201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.013201 (E_RNA) where: Base-Base interactions energy: -4.954 where: short stacking energy: 1.061 Base-Backbone interact. energy: -0.030 local terms energy: -15.030070 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.576 flat angles P-C4'-P energy: -3.508 tors. eta vs tors. theta energy: 3.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -21.290255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.290255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.290255 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -21.194530 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.630 flat angles P-C4'-P energy: -3.640 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: 7, replica: 1 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -18.926972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.926972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.926972 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -18.923808 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -4.486 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: 8, replica: 6 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -19.936368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.936368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.936368 (E_RNA) where: Base-Base interactions energy: -4.457 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.101 local terms energy: -15.377972 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -3.089 tors. eta vs tors. theta energy: 3.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -19.788474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.788474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.788474 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -19.775078 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -2.437 tors. eta vs tors. theta energy: -1.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -18.958515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.958515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.958515 (E_RNA) where: Base-Base interactions energy: -2.435 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -16.429895 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.657 flat angles P-C4'-P energy: -3.143 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: 1, replica: 9 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -25.375125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.375125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.375125 (E_RNA) where: Base-Base interactions energy: -1.926 where: short stacking energy: 0.595 Base-Backbone interact. energy: -0.000 local terms energy: -23.449171 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.833 flat angles P-C4'-P energy: -4.076 tors. eta vs tors. theta energy: -2.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -21.242460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.242460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.242460 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.242441 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.279 flat angles P-C4'-P energy: -4.047 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: 3, replica: 7 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -23.583682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.583682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.583682 (E_RNA) where: Base-Base interactions energy: -4.841 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -18.648238 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.482 flat angles P-C4'-P energy: -4.551 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: 4, replica: 3 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -23.106226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.106226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.106226 (E_RNA) where: Base-Base interactions energy: -4.009 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.070 local terms energy: -18.027343 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.776 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -2.530 tors. eta vs tors. theta energy: -0.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -20.951206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.951206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.951206 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.080 local terms energy: -20.871627 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.444 flat angles P-C4'-P energy: -3.524 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: 2 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -19.131171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.131171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.131171 (E_RNA) where: Base-Base interactions energy: -1.621 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.062 local terms energy: -17.448935 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.866 flat angles P-C4'-P energy: -2.047 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: 6 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -19.782350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.782350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.782350 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.781734 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -4.816 flat angles P-C4'-P energy: -2.714 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: 8, replica: 1 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -21.487262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.487262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.487262 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.487213 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -4.542 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: 9, replica: 10 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -19.377131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.377131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.377131 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -19.287104 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.066 flat angles P-C4'-P energy: -3.966 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: 10, replica: 8 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -18.930701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.930701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.930701 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.930631 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -3.099 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: 9 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -24.246379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.246379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.246379 (E_RNA) where: Base-Base interactions energy: -4.494 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.704 local terms energy: -19.048839 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -3.155 tors. eta vs tors. theta energy: -1.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -20.934369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.934369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.934369 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -20.841693 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.340 flat angles P-C4'-P energy: -4.636 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: 3, replica: 5 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -22.405359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.405359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.405359 (E_RNA) where: Base-Base interactions energy: -2.685 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -19.630752 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -4.365 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: 4, replica: 3 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -23.797413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.797413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.797413 (E_RNA) where: Base-Base interactions energy: -5.339 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.358 local terms energy: -18.100422 where: bonds (distance) C4'-P energy: -4.306 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -3.969 flat angles P-C4'-P energy: -4.055 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: 5, replica: 4 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -22.033426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.033426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.033426 (E_RNA) where: Base-Base interactions energy: -5.345 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -16.653345 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.353 flat angles P-C4'-P energy: -3.125 tors. eta vs tors. theta energy: 1.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -21.291850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.291850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.291850 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.079 local terms energy: -21.212413 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -3.687 flat angles P-C4'-P energy: -4.044 tors. eta vs tors. theta energy: -3.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -21.110992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.110992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.110992 (E_RNA) where: Base-Base interactions energy: -3.896 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -17.205711 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.514 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: 0.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -21.933811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.933811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.933811 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.033 local terms energy: -21.901065 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.883 flat angles P-C4'-P energy: -4.166 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: 9, replica: 1 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -19.975813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.975813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.975813 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.081 local terms energy: -19.894352 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.939 flat angles P-C4'-P energy: -4.472 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: 10, replica: 8 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -20.215838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.215838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.215838 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.189 local terms energy: -20.026598 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.206 flat angles C4'-P-C4' energy: -3.901 flat angles P-C4'-P energy: -3.238 tors. eta vs tors. theta energy: -3.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -23.267358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.267358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.267358 (E_RNA) where: Base-Base interactions energy: -4.678 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.231 local terms energy: -18.357684 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.969 flat angles P-C4'-P energy: -2.971 tors. eta vs tors. theta energy: -0.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -22.408367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.408367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.408367 (E_RNA) where: Base-Base interactions energy: -2.295 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.112019 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -3.555 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: 3, replica: 3 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -20.929007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.929007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.929007 (E_RNA) where: Base-Base interactions energy: 0.734 where: short stacking energy: 0.734 Base-Backbone interact. energy: -0.000 local terms energy: -21.663162 where: bonds (distance) C4'-P energy: -4.919 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -3.692 tors. eta vs tors. theta energy: -2.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -20.471683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.471683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.471683 (E_RNA) where: Base-Base interactions energy: -0.197 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -20.261998 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.600 flat angles P-C4'-P energy: -3.629 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: 5, replica: 6 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -19.450101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.450101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.450101 (E_RNA) where: Base-Base interactions energy: -0.168 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.006 local terms energy: -19.276784 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.951 flat angles C4'-P-C4' energy: -4.765 flat angles P-C4'-P energy: -3.486 tors. eta vs tors. theta energy: -0.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -20.352557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.352557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.352557 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.232 local terms energy: -20.120569 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.046 flat angles P-C4'-P energy: -3.854 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: 10 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -18.778616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.778616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.778616 (E_RNA) where: Base-Base interactions energy: -5.313 where: short stacking energy: 0.000 Base-Backbone interact. energy: -2.089 local terms energy: -11.377035 where: bonds (distance) C4'-P energy: -3.118 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.371 flat angles P-C4'-P energy: -1.983 tors. eta vs tors. theta energy: 2.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -19.747275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.747275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.747275 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.747118 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -3.475 tors. eta vs tors. theta energy: -0.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -20.414696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.414696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.414696 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.414679 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -3.862 tors. eta vs tors. theta energy: -0.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -19.933643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.933643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.933643 (E_RNA) where: Base-Base interactions energy: 0.586 where: short stacking energy: 0.586 Base-Backbone interact. energy: -0.000 local terms energy: -20.519273 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -3.183 tors. eta vs tors. theta energy: -1.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -26.039290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.039290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.039290 (E_RNA) where: Base-Base interactions energy: -5.218 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -20.805043 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -4.657 flat angles P-C4'-P energy: -3.627 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: 2, replica: 3 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -21.736134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.736134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.736134 (E_RNA) where: Base-Base interactions energy: -0.240 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.148 local terms energy: -21.348415 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -5.002 flat angles P-C4'-P energy: -4.720 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: 9 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -23.039406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.039406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.039406 (E_RNA) where: Base-Base interactions energy: -4.841 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.196926 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.064 flat angles P-C4'-P energy: -4.031 tors. eta vs tors. theta energy: 0.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -21.462863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.462863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.462863 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -21.456999 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.927 flat angles P-C4'-P energy: -3.757 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: 5 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -19.840451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.840451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.840451 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.087 local terms energy: -19.753041 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.611 flat angles P-C4'-P energy: -4.537 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: 6, replica: 10 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -20.348747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.348747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.348747 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -20.337659 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.922 flat angles P-C4'-P energy: -3.877 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: 7, replica: 4 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -18.424199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.424199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.424199 (E_RNA) where: Base-Base interactions energy: -0.944 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.305 local terms energy: -17.174979 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.945 flat angles C4'-P-C4' energy: -3.217 flat angles P-C4'-P energy: -4.190 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: 8 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -21.763172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.763172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.763172 (E_RNA) where: Base-Base interactions energy: -3.781 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.042 local terms energy: -17.939831 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.809 flat angles P-C4'-P energy: -4.824 tors. eta vs tors. theta energy: 1.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -18.347192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.347192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.347192 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.412 local terms energy: -18.034815 where: bonds (distance) C4'-P energy: -3.259 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -4.301 flat angles P-C4'-P energy: -4.106 tors. eta vs tors. theta energy: -0.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -19.042814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.042814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.042814 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.041143 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -4.590 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: 3 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -23.279709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.279709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.279709 (E_RNA) where: Base-Base interactions energy: -8.209 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.744 local terms energy: -15.814417 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.628 flat angles P-C4'-P energy: -2.935 tors. eta vs tors. theta energy: 0.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -21.776553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.776553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.776553 (E_RNA) where: Base-Base interactions energy: -1.049 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -20.637214 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -2.213 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: 6 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -21.247962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.247962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.247962 (E_RNA) where: Base-Base interactions energy: 0.042 where: short stacking energy: 0.042 Base-Backbone interact. energy: -0.004 local terms energy: -21.286258 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.729 flat angles P-C4'-P energy: -4.656 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: 4, replica: 9 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -21.668548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.668548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.668548 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -21.660863 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -5.412 flat angles P-C4'-P energy: -3.518 tors. eta vs tors. theta energy: -2.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -20.324396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.324396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.324396 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.019 local terms energy: -20.305812 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -3.770 flat angles P-C4'-P energy: -4.109 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: 6, replica: 5 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -20.575011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.575011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.575011 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -20.565053 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: -0.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -19.991049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.991049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.991049 (E_RNA) where: Base-Base interactions energy: 0.828 where: short stacking energy: 0.828 Base-Backbone interact. energy: -0.054 local terms energy: -20.765051 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.187 flat angles P-C4'-P energy: -3.041 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: 8, replica: 4 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -18.361010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.361010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.361010 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.616 local terms energy: -17.745236 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.287 flat angles P-C4'-P energy: -3.110 tors. eta vs tors. theta energy: -0.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -20.678086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.678086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.678086 (E_RNA) where: Base-Base interactions energy: -4.045 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.653 local terms energy: -15.980127 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.802 flat angles P-C4'-P energy: -1.794 tors. eta vs tors. theta energy: 1.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -18.829835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.829835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.829835 (E_RNA) where: Base-Base interactions energy: -3.490 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.080 local terms energy: -15.259834 where: bonds (distance) C4'-P energy: -4.285 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.046 flat angles P-C4'-P energy: -2.386 tors. eta vs tors. theta energy: 2.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -21.844473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.844473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.844473 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.842917 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.336 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -1.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -21.357536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.357536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.357536 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.357483 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.431 flat angles P-C4'-P energy: -3.677 tors. eta vs tors. theta energy: -0.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -21.282922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.282922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.282922 (E_RNA) where: Base-Base interactions energy: -5.231 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -15.953974 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.498 flat angles P-C4'-P energy: -2.350 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: 4, replica: 10 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -23.515969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.515969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.515969 (E_RNA) where: Base-Base interactions energy: -5.135 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -18.358002 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -1.865 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: 9 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -19.831952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.831952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.831952 (E_RNA) where: Base-Base interactions energy: -1.598 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.147 local terms energy: -18.086842 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.236 flat angles P-C4'-P energy: -4.598 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: 8 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -20.846588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.846588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.846588 (E_RNA) where: Base-Base interactions energy: -3.749 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.057 local terms energy: -17.039805 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.384 flat angles P-C4'-P energy: -3.226 tors. eta vs tors. theta energy: 1.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -20.278732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.278732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.278732 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.278591 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -4.003 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: 8, replica: 1 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -20.445344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.445344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.445344 (E_RNA) where: Base-Base interactions energy: -1.602 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.184 local terms energy: -18.659496 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.197 flat angles P-C4'-P energy: -2.486 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: 9, replica: 4 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -19.730828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.730828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.730828 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.730778 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.280 flat angles P-C4'-P energy: -2.834 tors. eta vs tors. theta energy: -2.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -19.821315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.821315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.821315 (E_RNA) where: Base-Base interactions energy: 0.035 where: short stacking energy: 0.035 Base-Backbone interact. energy: -0.000 local terms energy: -19.856663 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.313 flat angles P-C4'-P energy: -4.143 tors. eta vs tors. theta energy: -1.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -22.470467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.470467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.470467 (E_RNA) where: Base-Base interactions energy: 0.271 where: short stacking energy: 0.271 Base-Backbone interact. energy: -0.000 local terms energy: -22.741261 where: bonds (distance) C4'-P energy: -3.871 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.826 flat angles P-C4'-P energy: -3.044 tors. eta vs tors. theta energy: -4.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -22.117284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.117284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.117284 (E_RNA) where: Base-Base interactions energy: -4.634 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.106 local terms energy: -17.376856 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.331 flat angles P-C4'-P energy: -3.772 tors. eta vs tors. theta energy: 2.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -20.857892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.857892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.857892 (E_RNA) where: Base-Base interactions energy: -3.679 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -17.177680 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -4.173 flat angles C4'-P-C4' energy: -5.238 flat angles P-C4'-P energy: -3.757 tors. eta vs tors. theta energy: 1.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -22.444853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.444853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.444853 (E_RNA) where: Base-Base interactions energy: -5.073 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -17.344352 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.637 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: 1.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -20.286624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.286624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.286624 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.056 local terms energy: -20.230594 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.871 flat angles P-C4'-P energy: -3.202 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: 6, replica: 8 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -20.780342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.780342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.780342 (E_RNA) where: Base-Base interactions energy: -3.171 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.128 local terms energy: -17.481667 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -4.482 flat angles P-C4'-P energy: -4.266 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: 7, replica: 1 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -20.507718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.507718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.507718 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.507689 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -3.054 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: 8, replica: 5 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -18.562085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.562085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.562085 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -18.554424 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.950 flat angles P-C4'-P energy: -3.592 tors. eta vs tors. theta energy: -0.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -19.381767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.381767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.381767 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -19.283965 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.970 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: 0.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -18.748147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.748147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.748147 (E_RNA) where: Base-Base interactions energy: -3.147 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.087 local terms energy: -15.514088 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -4.073 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: 1, replica: 6 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -22.900614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.900614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.900614 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.900442 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.465 flat angles P-C4'-P energy: -4.872 tors. eta vs tors. theta energy: -3.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -20.399328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.399328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.399328 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.056 local terms energy: -20.343814 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.121 flat angles P-C4'-P energy: -3.940 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: 3, replica: 3 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -20.402998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.402998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.402998 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.396598 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.796 flat angles P-C4'-P energy: -3.358 tors. eta vs tors. theta energy: -2.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -20.124147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.124147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.124147 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.533 local terms energy: -20.656650 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -3.203 tors. eta vs tors. theta energy: -2.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -20.291572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.291572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.291572 (E_RNA) where: Base-Base interactions energy: -5.416 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.116 local terms energy: -14.759515 where: bonds (distance) C4'-P energy: -3.466 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -3.726 flat angles P-C4'-P energy: -4.437 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: 1 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -18.921155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.921155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.921155 (E_RNA) where: Base-Base interactions energy: -0.894 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -17.931834 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.983 flat angles P-C4'-P energy: -3.656 tors. eta vs tors. theta energy: 1.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -20.360889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.360889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.360889 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.360324 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -3.708 tors. eta vs tors. theta energy: -2.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -20.118479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.118479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.118479 (E_RNA) where: Base-Base interactions energy: -2.780 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -17.335195 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -0.704 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: 5 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -20.099595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.099595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.099595 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.099514 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.778 flat angles P-C4'-P energy: -3.784 tors. eta vs tors. theta energy: -0.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -19.604427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.604427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.604427 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.603768 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -3.725 flat angles P-C4'-P energy: -4.292 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: 1, replica: 10 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -21.994466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.994466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.994466 (E_RNA) where: Base-Base interactions energy: -0.491 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -21.494405 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -3.755 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: 6 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -22.036731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.036731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.036731 (E_RNA) where: Base-Base interactions energy: -3.526 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.033 local terms energy: -18.476865 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.611 flat angles P-C4'-P energy: -3.408 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: 3, replica: 9 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -20.934467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.934467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.934467 (E_RNA) where: Base-Base interactions energy: -4.742 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.190 local terms energy: -16.002401 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.766 flat angles P-C4'-P energy: -3.018 tors. eta vs tors. theta energy: 3.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -19.815538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.815538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.815538 (E_RNA) where: Base-Base interactions energy: -6.332 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.177 local terms energy: -13.305992 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -2.107 flat angles P-C4'-P energy: -2.568 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: 5, replica: 1 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -20.482170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.482170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.482170 (E_RNA) where: Base-Base interactions energy: -4.609 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.136 local terms energy: -15.737704 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.912 flat angles P-C4'-P energy: -2.173 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: 7 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -20.525299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.525299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.525299 (E_RNA) where: Base-Base interactions energy: -3.721 where: short stacking energy: 0.683 Base-Backbone interact. energy: -0.023 local terms energy: -16.782211 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -3.613 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: 7, replica: 2 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -19.084392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.084392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.084392 (E_RNA) where: Base-Base interactions energy: -0.296 where: short stacking energy: 0.112 Base-Backbone interact. energy: -0.057 local terms energy: -18.731476 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.413 flat angles P-C4'-P energy: -3.903 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: 8, replica: 8 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -20.398108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.398108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.398108 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.396242 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -3.959 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: 9, replica: 4 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -20.189630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.189630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.189630 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -20.184604 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -5.145 flat angles P-C4'-P energy: -3.480 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: 10, replica: 5 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -18.701430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.701430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.701430 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.054 local terms energy: -18.647075 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.215 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -4.358 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: 1, replica: 10 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -21.650798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.650798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.650798 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.648881 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -3.058 tors. eta vs tors. theta energy: -1.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -21.633122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.633122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.633122 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.632951 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.656 flat angles P-C4'-P energy: -2.315 tors. eta vs tors. theta energy: -3.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -19.898947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.898947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.898947 (E_RNA) where: Base-Base interactions energy: -2.077 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.266 local terms energy: -17.556270 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.626 flat angles P-C4'-P energy: -3.320 tors. eta vs tors. theta energy: 0.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -22.915735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.915735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.915735 (E_RNA) where: Base-Base interactions energy: -3.484 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.650 local terms energy: -18.781036 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -2.331 flat angles P-C4'-P energy: -1.924 tors. eta vs tors. theta energy: -4.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -21.467353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.467353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.467353 (E_RNA) where: Base-Base interactions energy: -2.327 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.140225 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -4.842 flat angles P-C4'-P energy: -3.999 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: 2 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -21.227594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.227594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.227594 (E_RNA) where: Base-Base interactions energy: -5.006 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.025 local terms energy: -16.196733 where: bonds (distance) C4'-P energy: -4.389 bonds (distance) P-C4' energy: -4.476 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -4.414 tors. eta vs tors. theta energy: 2.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -21.449664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.449664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.449664 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -21.446960 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.293 flat angles P-C4'-P energy: -3.336 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: 8, replica: 4 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -18.950336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.950336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.950336 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -18.934797 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -4.758 flat angles P-C4'-P energy: -4.797 tors. eta vs tors. theta energy: 0.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -19.489218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.489218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.489218 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.486642 where: bonds (distance) C4'-P energy: -3.524 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.706 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: -1.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -19.091004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.091004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.091004 (E_RNA) where: Base-Base interactions energy: -0.788 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.012 local terms energy: -18.291293 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.196 flat angles P-C4'-P energy: -4.705 tors. eta vs tors. theta energy: 1.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -22.372003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.372003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.372003 (E_RNA) where: Base-Base interactions energy: -3.772 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.060 local terms energy: -18.540008 where: bonds (distance) C4'-P energy: -3.031 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.617 flat angles P-C4'-P energy: -4.162 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: 6 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -22.257244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.257244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.257244 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -22.164670 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -4.279 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: 1 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -20.120560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.120560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.120560 (E_RNA) where: Base-Base interactions energy: -4.446 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -15.651685 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -3.649 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: 4, replica: 9 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -20.306174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.306174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.306174 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.052 local terms energy: -19.253811 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.075 flat angles P-C4'-P energy: -4.550 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: 2 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -20.386417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.386417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.386417 (E_RNA) where: Base-Base interactions energy: -1.936 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -18.356303 where: bonds (distance) C4'-P energy: -3.093 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: -0.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -22.616438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.616438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.616438 (E_RNA) where: Base-Base interactions energy: -1.166 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -21.355479 where: bonds (distance) C4'-P energy: -5.714 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -5.296 flat angles P-C4'-P energy: -3.422 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: 7, replica: 4 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -19.689109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.689109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.689109 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.193 local terms energy: -19.495913 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -5.181 flat angles P-C4'-P energy: -2.659 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: 8, replica: 7 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -20.392201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.392201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.392201 (E_RNA) where: Base-Base interactions energy: -2.206 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -18.124928 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.550 flat angles P-C4'-P energy: -3.268 tors. eta vs tors. theta energy: 0.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -21.009191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.009191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.009191 (E_RNA) where: Base-Base interactions energy: -1.496 where: short stacking energy: 0.323 Base-Backbone interact. energy: -0.000 local terms energy: -19.513045 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.172 flat angles P-C4'-P energy: -3.938 tors. eta vs tors. theta energy: -0.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -18.834014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.834014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.834014 (E_RNA) where: Base-Base interactions energy: 0.258 where: short stacking energy: 0.317 Base-Backbone interact. energy: -0.007 local terms energy: -19.084846 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.312 flat angles P-C4'-P energy: -3.584 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: 1, replica: 10 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -20.106492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.106492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.106492 (E_RNA) where: Base-Base interactions energy: -1.354 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -18.725315 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -4.343 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: 2, replica: 1 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -21.911310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.911310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.911310 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.909993 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -4.197 tors. eta vs tors. theta energy: -1.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -21.914221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.914221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.914221 (E_RNA) where: Base-Base interactions energy: -1.868 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.045704 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -3.134 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: 4, replica: 2 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -20.928393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.928393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.928393 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.928376 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -4.797 tors. eta vs tors. theta energy: -1.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -22.270928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.270928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.270928 (E_RNA) where: Base-Base interactions energy: 0.097 where: short stacking energy: 0.097 Base-Backbone interact. energy: -0.001 local terms energy: -22.366946 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.957 flat angles P-C4'-P energy: -3.971 tors. eta vs tors. theta energy: -2.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -20.881372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.881372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.881372 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -20.853777 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -3.648 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: 7, replica: 3 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -19.297320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.297320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.297320 (E_RNA) where: Base-Base interactions energy: -4.043 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.036 local terms energy: -15.290207 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -1.007 flat angles P-C4'-P energy: -4.410 tors. eta vs tors. theta energy: 0.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -18.207972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.207972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.207972 (E_RNA) where: Base-Base interactions energy: 0.729 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.627 local terms energy: -18.309750 where: bonds (distance) C4'-P energy: -4.057 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.577 flat angles P-C4'-P energy: -4.097 tors. eta vs tors. theta energy: 0.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -19.365921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.365921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.365921 (E_RNA) where: Base-Base interactions energy: -1.935 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -17.401698 where: bonds (distance) C4'-P energy: -3.871 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -0.876 flat angles P-C4'-P energy: -3.336 tors. eta vs tors. theta energy: -3.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -17.782996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.782996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.782996 (E_RNA) where: Base-Base interactions energy: -1.903 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.119 local terms energy: -15.760939 where: bonds (distance) C4'-P energy: -3.516 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.406 flat angles P-C4'-P energy: -3.824 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: 1, replica: 10 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -20.863073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.863073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.863073 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -20.772525 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.737 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -4.121 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: 2, replica: 1 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -22.588446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.588446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.588446 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -22.587824 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.838 flat angles P-C4'-P energy: -4.446 tors. eta vs tors. theta energy: -1.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -22.150874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.150874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.150874 (E_RNA) where: Base-Base interactions energy: -0.599 where: short stacking energy: 0.033 Base-Backbone interact. energy: -0.000 local terms energy: -21.551544 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -5.000 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -2.708 tors. eta vs tors. theta energy: -3.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -20.946865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.946865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.946865 (E_RNA) where: Base-Base interactions energy: -3.622 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.104 local terms energy: -16.220346 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.337 flat angles P-C4'-P energy: -3.941 tors. eta vs tors. theta energy: 2.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -19.875379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.875379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.875379 (E_RNA) where: Base-Base interactions energy: -3.603 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.725 local terms energy: -15.546790 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -4.765 flat angles P-C4'-P energy: -2.217 tors. eta vs tors. theta energy: 1.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -20.374607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.374607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.374607 (E_RNA) where: Base-Base interactions energy: 0.380 where: short stacking energy: 0.380 Base-Backbone interact. energy: -0.000 local terms energy: -20.754906 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -5.760 flat angles P-C4'-P energy: -4.276 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: 5 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -19.392936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.392936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.392936 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.069 local terms energy: -19.323753 where: bonds (distance) C4'-P energy: -3.900 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.605 flat angles P-C4'-P energy: -4.411 tors. eta vs tors. theta energy: -1.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -19.231091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.231091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.231091 (E_RNA) where: Base-Base interactions energy: -1.897 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -17.334095 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -4.514 flat angles P-C4'-P energy: -0.967 tors. eta vs tors. theta energy: -1.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -20.014727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.014727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.014727 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -20.004146 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -2.868 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: 7 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -19.788775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.788775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.788775 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.788770 where: bonds (distance) C4'-P energy: -3.615 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.483 flat angles P-C4'-P energy: -4.801 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: 1, replica: 10 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -22.025409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.025409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.025409 (E_RNA) where: Base-Base interactions energy: -2.443 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.169 local terms energy: -19.412595 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -4.616 flat angles P-C4'-P energy: -3.619 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: 2 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -25.790075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.790075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.790075 (E_RNA) where: Base-Base interactions energy: -5.437 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -20.345226 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -4.034 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: 3, replica: 1 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -21.799239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.799239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.799239 (E_RNA) where: Base-Base interactions energy: -4.270 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.060 local terms energy: -17.469148 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.893 flat angles P-C4'-P energy: -2.204 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: 4 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -21.526106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.526106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.526106 (E_RNA) where: Base-Base interactions energy: -5.446 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -16.067932 where: bonds (distance) C4'-P energy: -4.841 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.359 flat angles P-C4'-P energy: -1.656 tors. eta vs tors. theta energy: 0.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -21.308603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.308603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.308603 (E_RNA) where: Base-Base interactions energy: -2.341 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -18.958492 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.020 flat angles P-C4'-P energy: -3.444 tors. eta vs tors. theta energy: -0.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -20.407106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.407106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.407106 (E_RNA) where: Base-Base interactions energy: -5.004 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.140 local terms energy: -15.263058 where: bonds (distance) C4'-P energy: -3.150 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.698 flat angles P-C4'-P energy: -3.793 tors. eta vs tors. theta energy: 1.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -19.839897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.839897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.839897 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.073 local terms energy: -19.767020 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.797 flat angles P-C4'-P energy: -4.590 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: 477 Temperature: 1.250000 Total energy: -19.365322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.365322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.365322 (E_RNA) where: Base-Base interactions energy: 0.157 where: short stacking energy: 0.157 Base-Backbone interact. energy: -0.027 local terms energy: -19.495147 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.094 flat angles P-C4'-P energy: -3.797 tors. eta vs tors. theta energy: -0.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -19.468555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.468555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.468555 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.466973 where: bonds (distance) C4'-P energy: -3.959 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -3.537 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: 10, replica: 7 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -20.932456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.932456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.932456 (E_RNA) where: Base-Base interactions energy: -1.071 where: short stacking energy: 1.001 Base-Backbone interact. energy: -0.038 local terms energy: -19.823922 where: bonds (distance) C4'-P energy: -3.428 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.220 flat angles P-C4'-P energy: -3.372 tors. eta vs tors. theta energy: -1.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -22.660425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.660425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.660425 (E_RNA) where: Base-Base interactions energy: -4.447 where: short stacking energy: 0.144 Base-Backbone interact. energy: -0.016 local terms energy: -18.198166 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -3.901 flat angles P-C4'-P energy: -3.349 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: 2, replica: 10 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -21.327073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.327073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.327073 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.697 local terms energy: -19.629968 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -4.582 flat angles P-C4'-P energy: -3.792 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: 4 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -21.932929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.932929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.932929 (E_RNA) where: Base-Base interactions energy: -4.934 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.209 local terms energy: -16.789798 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -0.767 tors. eta vs tors. theta energy: 0.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -21.404494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.404494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.404494 (E_RNA) where: Base-Base interactions energy: -4.011 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -17.383399 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.531 flat angles P-C4'-P energy: -3.020 tors. eta vs tors. theta energy: -0.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -19.814723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.814723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.814723 (E_RNA) where: Base-Base interactions energy: -1.445 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -18.274339 where: bonds (distance) C4'-P energy: -2.583 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.072 flat angles P-C4'-P energy: -2.658 tors. eta vs tors. theta energy: -1.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -20.592143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.592143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.592143 (E_RNA) where: Base-Base interactions energy: 0.059 where: short stacking energy: 0.059 Base-Backbone interact. energy: -0.049 local terms energy: -20.602192 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.935 flat angles P-C4'-P energy: -3.507 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: 7, replica: 8 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -19.864436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.864436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.864436 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.864434 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.817 flat angles P-C4'-P energy: -3.268 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: 8, replica: 9 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -20.950113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.950113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.950113 (E_RNA) where: Base-Base interactions energy: -4.079 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.043 local terms energy: -16.828182 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -2.814 tors. eta vs tors. theta energy: 1.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -19.700130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.700130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.700130 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.698303 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.397 flat angles P-C4'-P energy: -3.869 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: 10, replica: 3 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -18.660089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.660089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.660089 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -18.560749 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.694 flat angles P-C4'-P energy: -2.941 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: 1, replica: 2 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -22.370611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.370611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.370611 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.068 local terms energy: -22.302467 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -4.783 flat angles C4'-P-C4' energy: -4.533 flat angles P-C4'-P energy: -4.743 tors. eta vs tors. theta energy: -3.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -20.856922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.856922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.856922 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.220 local terms energy: -20.636435 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.586 flat angles P-C4'-P energy: -4.037 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: 3, replica: 10 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -22.176131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.176131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.176131 (E_RNA) where: Base-Base interactions energy: -3.163 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.033 local terms energy: -18.979917 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.836 flat angles P-C4'-P energy: -4.007 tors. eta vs tors. theta energy: 0.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -22.653878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.653878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.653878 (E_RNA) where: Base-Base interactions energy: -4.507 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.126 local terms energy: -18.020709 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -3.544 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: 1 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -24.517876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.517876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.517876 (E_RNA) where: Base-Base interactions energy: -5.718 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.079 local terms energy: -18.721776 where: bonds (distance) C4'-P energy: -4.537 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.226 flat angles P-C4'-P energy: -3.258 tors. eta vs tors. theta energy: -0.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -21.126428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.126428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.126428 (E_RNA) where: Base-Base interactions energy: -6.563 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.135 local terms energy: -14.428356 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -2.677 tors. eta vs tors. theta energy: 3.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -20.485185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.485185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.485185 (E_RNA) where: Base-Base interactions energy: -5.449 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.197 local terms energy: -14.839622 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -3.941 flat angles C4'-P-C4' energy: -3.491 flat angles P-C4'-P energy: -3.422 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: 8, replica: 7 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -19.013351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.013351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.013351 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.008 local terms energy: -19.205830 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -4.456 flat angles P-C4'-P energy: -4.017 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: 9, replica: 9 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -19.796130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.796130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.796130 (E_RNA) where: Base-Base interactions energy: -2.858 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.153 local terms energy: -16.785361 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -3.707 flat angles P-C4'-P energy: -4.369 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: 10, replica: 3 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -21.765336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.765336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.765336 (E_RNA) where: Base-Base interactions energy: -2.474 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.648 local terms energy: -18.643978 where: bonds (distance) C4'-P energy: -3.747 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.671 flat angles P-C4'-P energy: -3.670 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: 4 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -21.626408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.626408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.626408 (E_RNA) where: Base-Base interactions energy: 0.203 where: short stacking energy: 0.203 Base-Backbone interact. energy: -0.395 local terms energy: -21.435099 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -4.815 flat angles P-C4'-P energy: -3.685 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: 2, replica: 2 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -21.902815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.902815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.902815 (E_RNA) where: Base-Base interactions energy: 0.436 where: short stacking energy: 0.436 Base-Backbone interact. energy: -0.019 local terms energy: -22.319856 where: bonds (distance) C4'-P energy: -3.661 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.910 flat angles P-C4'-P energy: -4.504 tors. eta vs tors. theta energy: -3.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -21.644575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.644575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.644575 (E_RNA) where: Base-Base interactions energy: 0.044 where: short stacking energy: 0.044 Base-Backbone interact. energy: -0.000 local terms energy: -21.688089 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.355 flat angles P-C4'-P energy: -4.175 tors. eta vs tors. theta energy: -2.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -18.881032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.881032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.881032 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.101 local terms energy: -18.779926 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -4.358 tors. eta vs tors. theta energy: 0.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -20.942272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.942272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.942272 (E_RNA) where: Base-Base interactions energy: 0.035 where: short stacking energy: 0.035 Base-Backbone interact. energy: -0.002 local terms energy: -20.974930 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.110 flat angles P-C4'-P energy: -4.515 tors. eta vs tors. theta energy: -1.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -20.710635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.710635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.710635 (E_RNA) where: Base-Base interactions energy: -0.922 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -19.775426 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.440 flat angles P-C4'-P energy: -4.476 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: 7, replica: 7 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -20.918540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.918540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.918540 (E_RNA) where: Base-Base interactions energy: -1.827 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -18.990769 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -4.626 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: 8, replica: 6 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -20.513011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.513011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.513011 (E_RNA) where: Base-Base interactions energy: -0.422 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.151 local terms energy: -19.940365 where: bonds (distance) C4'-P energy: -4.537 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.231 flat angles P-C4'-P energy: -4.045 tors. eta vs tors. theta energy: -0.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -20.040046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.040046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.040046 (E_RNA) where: Base-Base interactions energy: -4.042 where: short stacking energy: 0.052 Base-Backbone interact. energy: -0.104 local terms energy: -15.894355 where: bonds (distance) C4'-P energy: -3.801 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.622 flat angles P-C4'-P energy: -3.882 tors. eta vs tors. theta energy: 1.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -20.131978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.131978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.131978 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -20.123878 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.389 flat angles P-C4'-P energy: -2.418 tors. eta vs tors. theta energy: -1.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -21.336060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.336060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.336060 (E_RNA) where: Base-Base interactions energy: -4.387 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.063 local terms energy: -16.885719 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.197 flat angles P-C4'-P energy: -3.423 tors. eta vs tors. theta energy: 1.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -20.685264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.685264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.685264 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.685238 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -5.099 flat angles P-C4'-P energy: -4.475 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: 3, replica: 2 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -20.767542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.767542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.767542 (E_RNA) where: Base-Base interactions energy: -0.451 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -20.288975 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -2.756 tors. eta vs tors. theta energy: -1.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -23.339865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.339865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.339865 (E_RNA) where: Base-Base interactions energy: -5.514 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -17.797283 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.301 flat angles P-C4'-P energy: -3.375 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: 5, replica: 10 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -22.063814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.063814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.063814 (E_RNA) where: Base-Base interactions energy: -5.894 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.064 local terms energy: -16.106009 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.732 flat angles P-C4'-P energy: -3.172 tors. eta vs tors. theta energy: 1.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -21.425028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.425028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.425028 (E_RNA) where: Base-Base interactions energy: -0.663 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.759208 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -2.032 flat angles P-C4'-P energy: -4.256 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: 7, replica: 1 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -19.396581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.396581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.396581 (E_RNA) where: Base-Base interactions energy: -1.805 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -17.496767 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.385 flat angles C4'-P-C4' energy: -4.396 flat angles P-C4'-P energy: -4.321 tors. eta vs tors. theta energy: 0.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -19.521136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.521136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.521136 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.517766 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.793 flat angles P-C4'-P energy: -3.717 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: 9, replica: 6 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -19.513520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.513520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.513520 (E_RNA) where: Base-Base interactions energy: 0.037 where: short stacking energy: 0.037 Base-Backbone interact. energy: -0.000 local terms energy: -19.550279 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.208 flat angles P-C4'-P energy: -4.449 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: 10, replica: 3 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -21.220900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.220900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.220900 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.385 local terms energy: -20.835581 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.681 flat angles P-C4'-P energy: -3.969 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: 1, replica: 4 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -24.304584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.304584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.304584 (E_RNA) where: Base-Base interactions energy: -1.091 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.213423 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -4.513 tors. eta vs tors. theta energy: -3.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -20.720951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.720951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.720951 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.720803 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.433 flat angles P-C4'-P energy: -4.346 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: 3, replica: 8 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -20.455998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.455998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.455998 (E_RNA) where: Base-Base interactions energy: -2.041 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.124 local terms energy: -18.291787 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -5.292 flat angles P-C4'-P energy: -3.194 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: 4, replica: 2 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -21.345504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.345504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.345504 (E_RNA) where: Base-Base interactions energy: 0.023 where: short stacking energy: 0.023 Base-Backbone interact. energy: -1.145 local terms energy: -20.223945 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -4.816 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: 5, replica: 7 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -20.739985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.739985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.739985 (E_RNA) where: Base-Base interactions energy: -3.230 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.162 local terms energy: -17.347357 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.394 flat angles P-C4'-P energy: -4.158 tors. eta vs tors. theta energy: 1.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -22.100657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.100657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.100657 (E_RNA) where: Base-Base interactions energy: 0.304 where: short stacking energy: 0.304 Base-Backbone interact. energy: -0.000 local terms energy: -22.404567 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.853 flat angles P-C4'-P energy: -4.504 tors. eta vs tors. theta energy: -1.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -18.961252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.961252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.961252 (E_RNA) where: Base-Base interactions energy: -0.384 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -18.561319 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -4.329 flat angles P-C4'-P energy: -2.178 tors. eta vs tors. theta energy: -2.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -19.600415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.600415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.600415 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.600294 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.116 flat angles P-C4'-P energy: -4.168 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: 482 Temperature: 1.300000 Total energy: -21.959220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.959220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.959220 (E_RNA) where: Base-Base interactions energy: -1.937 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -20.014587 where: bonds (distance) C4'-P energy: -4.124 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -3.677 flat angles P-C4'-P energy: -4.007 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: 10, replica: 6 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -18.861308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.861308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.861308 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.861291 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.926 flat angles P-C4'-P energy: -3.119 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: 1, replica: 4 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -22.732658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.732658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.732658 (E_RNA) where: Base-Base interactions energy: 0.053 where: short stacking energy: 0.053 Base-Backbone interact. energy: -0.093 local terms energy: -22.693154 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.961 flat angles P-C4'-P energy: -3.095 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: 2, replica: 5 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -20.419149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.419149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.419149 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -20.389248 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.908 flat angles P-C4'-P energy: -4.086 tors. eta vs tors. theta energy: -0.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -23.209204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.209204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.209204 (E_RNA) where: Base-Base interactions energy: -2.897 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.071 local terms energy: -20.240460 where: bonds (distance) C4'-P energy: -4.447 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -3.621 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: 4, replica: 7 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -22.004206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.004206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.004206 (E_RNA) where: Base-Base interactions energy: -5.349 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.078 local terms energy: -16.577247 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -4.219 flat angles P-C4'-P energy: -3.947 tors. eta vs tors. theta energy: 2.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -18.998652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.998652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.998652 (E_RNA) where: Base-Base interactions energy: -0.107 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -18.885829 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.138 flat angles P-C4'-P energy: -3.961 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: 9 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -19.198980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.198980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.198980 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.198464 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -3.409 flat angles P-C4'-P energy: -4.244 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: 10 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -21.894525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.894525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.894525 (E_RNA) where: Base-Base interactions energy: -6.775 where: short stacking energy: 0.125 Base-Backbone interact. energy: -0.151 local terms energy: -14.968876 where: bonds (distance) C4'-P energy: -3.784 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.172 flat angles P-C4'-P energy: -2.354 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: 8, replica: 3 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -21.144842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.144842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.144842 (E_RNA) where: Base-Base interactions energy: -2.267 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -18.873539 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.669 flat angles P-C4'-P energy: -3.559 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: 9, replica: 1 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -19.318940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.318940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.318940 (E_RNA) where: Base-Base interactions energy: -4.121 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.148 local terms energy: -15.049576 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -0.944 flat angles P-C4'-P energy: -4.195 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: 10, replica: 6 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -19.452945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.452945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.452945 (E_RNA) where: Base-Base interactions energy: 0.226 where: short stacking energy: 0.226 Base-Backbone interact. energy: -0.000 local terms energy: -19.678832 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -3.894 tors. eta vs tors. theta energy: 0.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -22.456382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.456382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.456382 (E_RNA) where: Base-Base interactions energy: -2.120 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -20.315591 where: bonds (distance) C4'-P energy: -5.143 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -3.551 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: 2, replica: 5 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -21.984143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.984143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.984143 (E_RNA) where: Base-Base interactions energy: -6.261 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -15.688125 where: bonds (distance) C4'-P energy: -4.129 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.807 flat angles P-C4'-P energy: -0.859 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: 3, replica: 8 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -19.643702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.643702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.643702 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.132 local terms energy: -19.511861 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.644 flat angles P-C4'-P energy: -3.981 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: 4, replica: 7 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -19.298411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.298411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.298411 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.255 local terms energy: -19.043175 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.200 flat angles P-C4'-P energy: -4.187 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: 5, replica: 9 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -20.745493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.745493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.745493 (E_RNA) where: Base-Base interactions energy: -2.902 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.293 local terms energy: -17.550204 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.282 flat angles P-C4'-P energy: -3.715 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: 6, replica: 2 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -20.503570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.503570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.503570 (E_RNA) where: Base-Base interactions energy: -5.175 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -15.301602 where: bonds (distance) C4'-P energy: -3.155 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -1.912 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: 7, replica: 3 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -20.430292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.430292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.430292 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.429471 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -4.340 flat angles P-C4'-P energy: -2.535 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: 8, replica: 10 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -19.346464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.346464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.346464 (E_RNA) where: Base-Base interactions energy: -5.827 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.150 local terms energy: -13.369799 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.407 flat angles P-C4'-P energy: -2.584 tors. eta vs tors. theta energy: 3.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -19.358907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.358907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.358907 (E_RNA) where: Base-Base interactions energy: -1.989 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -17.359712 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -2.879 flat angles P-C4'-P energy: -3.235 tors. eta vs tors. theta energy: -0.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -21.085562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.085562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.085562 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.085466 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.286 flat angles P-C4'-P energy: -3.265 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: 1, replica: 4 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -25.086635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.086635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.086635 (E_RNA) where: Base-Base interactions energy: -5.293 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.036 local terms energy: -19.758107 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -5.507 flat angles P-C4'-P energy: -4.513 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: 2, replica: 8 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -21.448246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.448246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.448246 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -21.357792 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.299 flat angles P-C4'-P energy: -4.132 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: 3, replica: 5 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -20.680193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.680193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.680193 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.680190 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.406 flat angles P-C4'-P energy: -4.249 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: 4, replica: 9 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -22.899220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.899220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.899220 (E_RNA) where: Base-Base interactions energy: -2.940 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.078 local terms energy: -19.881162 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.680 flat angles P-C4'-P energy: -4.853 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: 7 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -20.437684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.437684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.437684 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.083 local terms energy: -20.354795 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -3.572 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: 6, replica: 3 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -18.769243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.769243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.769243 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -18.753775 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.547 flat angles P-C4'-P energy: -3.203 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: 7, replica: 2 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -19.641325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.641325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.641325 (E_RNA) where: Base-Base interactions energy: -3.487 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.057 local terms energy: -16.096559 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -3.268 flat angles P-C4'-P energy: -2.990 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: 8, replica: 6 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -20.733481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.733481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.733481 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.157 local terms energy: -20.576181 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -4.095 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: 9, replica: 10 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -18.655943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.655943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.655943 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.655943 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -4.638 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: 10, replica: 1 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -20.398001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.398001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.398001 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.001 local terms energy: -20.596628 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.770 flat angles P-C4'-P energy: -4.809 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: 486 Temperature: 0.900000 Total energy: -20.910460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.910460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.910460 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.909826 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.516 flat angles P-C4'-P energy: -2.257 tors. eta vs tors. theta energy: -3.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -21.712027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.712027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.712027 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.034 local terms energy: -21.745667 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.341 flat angles P-C4'-P energy: -4.054 tors. eta vs tors. theta energy: -1.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -20.704935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.704935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.704935 (E_RNA) where: Base-Base interactions energy: 0.700 where: short stacking energy: 0.700 Base-Backbone interact. energy: -0.000 local terms energy: -21.404935 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.512 flat angles P-C4'-P energy: -3.770 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: 4, replica: 5 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -21.213806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.213806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.213806 (E_RNA) where: Base-Base interactions energy: -2.952 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.070 local terms energy: -18.331397 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -4.081 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: 5, replica: 3 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -20.095945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.095945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.095945 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.047 local terms energy: -20.048483 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -4.173 tors. eta vs tors. theta energy: -0.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -21.925687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.925687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.925687 (E_RNA) where: Base-Base interactions energy: 0.348 where: short stacking energy: 0.348 Base-Backbone interact. energy: -0.009 local terms energy: -22.264996 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -5.088 flat angles P-C4'-P energy: -4.170 tors. eta vs tors. theta energy: -3.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -19.271520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.271520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.271520 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.177 local terms energy: -19.094160 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.570 flat angles P-C4'-P energy: -2.621 tors. eta vs tors. theta energy: -0.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -21.358228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.358228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.358228 (E_RNA) where: Base-Base interactions energy: 0.270 where: short stacking energy: 0.270 Base-Backbone interact. energy: -0.070 local terms energy: -21.557691 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.488 flat angles P-C4'-P energy: -3.507 tors. eta vs tors. theta energy: -2.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -19.971035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.971035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.971035 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.970360 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.348 flat angles P-C4'-P energy: -3.554 tors. eta vs tors. theta energy: -1.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -18.983670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.983670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.983670 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -18.977863 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.810 flat angles P-C4'-P energy: -3.310 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: 1, replica: 8 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -22.163247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.163247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.163247 (E_RNA) where: Base-Base interactions energy: -1.125 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.037334 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -4.331 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: 2, replica: 4 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -22.780145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.780145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.780145 (E_RNA) where: Base-Base interactions energy: 0.069 where: short stacking energy: 0.069 Base-Backbone interact. energy: -0.001 local terms energy: -22.848349 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.349 flat angles P-C4'-P energy: -3.954 tors. eta vs tors. theta energy: -3.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -21.973107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.973107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.973107 (E_RNA) where: Base-Base interactions energy: -3.261 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -18.683812 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.726 flat angles P-C4'-P energy: -2.258 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: 3 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -20.664601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.664601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.664601 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.347 local terms energy: -20.317187 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: -1.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -20.321130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.321130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.321130 (E_RNA) where: Base-Base interactions energy: -5.525 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.229 local terms energy: -14.567231 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -4.476 flat angles C4'-P-C4' energy: -3.314 flat angles P-C4'-P energy: -2.098 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: 6, replica: 6 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -22.807674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.807674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.807674 (E_RNA) where: Base-Base interactions energy: -4.974 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -17.832269 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.005 flat angles P-C4'-P energy: -3.416 tors. eta vs tors. theta energy: 0.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -19.309392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.309392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.309392 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.064 local terms energy: -19.245059 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -3.256 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: 8, replica: 10 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -24.136155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.136155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.136155 (E_RNA) where: Base-Base interactions energy: -5.310 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.197 local terms energy: -18.629649 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.636 flat angles P-C4'-P energy: -3.192 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: 9, replica: 2 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -20.413223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.413223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.413223 (E_RNA) where: Base-Base interactions energy: 0.812 where: short stacking energy: 0.812 Base-Backbone interact. energy: -0.098 local terms energy: -21.126776 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -4.550 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: 10, replica: 1 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -18.502744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.502744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.502744 (E_RNA) where: Base-Base interactions energy: -1.644 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -16.828807 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.115 flat angles P-C4'-P energy: -4.409 tors. eta vs tors. theta energy: 2.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -21.998983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.998983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.998983 (E_RNA) where: Base-Base interactions energy: -4.898 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -17.007965 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.904 flat angles P-C4'-P energy: -3.704 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: 2, replica: 8 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -22.178407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.178407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.178407 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.178229 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.653 flat angles P-C4'-P energy: -4.646 tors. eta vs tors. theta energy: -2.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -20.646787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.646787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.646787 (E_RNA) where: Base-Base interactions energy: -0.346 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.033 local terms energy: -20.267397 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -4.720 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: 4, replica: 9 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -20.548764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.548764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.548764 (E_RNA) where: Base-Base interactions energy: 0.075 where: short stacking energy: 0.075 Base-Backbone interact. energy: -0.000 local terms energy: -20.623834 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -5.326 flat angles P-C4'-P energy: -3.041 tors. eta vs tors. theta energy: -1.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -20.415679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.415679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.415679 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.063 local terms energy: -20.352573 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.566 flat angles P-C4'-P energy: -4.458 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: 6, replica: 5 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -21.261657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.261657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.261657 (E_RNA) where: Base-Base interactions energy: -1.204 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.415 local terms energy: -19.643581 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -4.255 flat angles P-C4'-P energy: -3.379 tors. eta vs tors. theta energy: -1.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -19.852127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.852127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.852127 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.852066 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -4.759 flat angles P-C4'-P energy: -3.061 tors. eta vs tors. theta energy: -2.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -19.850048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.850048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.850048 (E_RNA) where: Base-Base interactions energy: -6.155 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.148 local terms energy: -13.546966 where: bonds (distance) C4'-P energy: -4.124 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -3.159 flat angles P-C4'-P energy: -3.254 tors. eta vs tors. theta energy: 2.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -20.051529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.051529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.051529 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.051529 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -2.555 tors. eta vs tors. theta energy: -3.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -17.986572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.986572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.986572 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -17.985938 where: bonds (distance) C4'-P energy: -3.093 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.475 flat angles P-C4'-P energy: -4.300 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: 1, replica: 4 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -21.847445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.847445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.847445 (E_RNA) where: Base-Base interactions energy: -1.728 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.107 local terms energy: -20.011731 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.198 flat angles P-C4'-P energy: -4.065 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: 2, replica: 8 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -22.179000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.179000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.179000 (E_RNA) where: Base-Base interactions energy: -3.676 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.070 local terms energy: -18.433107 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -3.926 flat angles P-C4'-P energy: -3.774 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: 3, replica: 3 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -24.007745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.007745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.007745 (E_RNA) where: Base-Base interactions energy: -4.753 where: short stacking energy: 1.200 Base-Backbone interact. energy: -0.025 local terms energy: -19.230114 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.916 flat angles P-C4'-P energy: -3.767 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: 6 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -21.252501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.252501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.252501 (E_RNA) where: Base-Base interactions energy: -5.959 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.024 local terms energy: -15.269836 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.251 flat angles P-C4'-P energy: -2.405 tors. eta vs tors. theta energy: 1.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -19.811559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.811559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.811559 (E_RNA) where: Base-Base interactions energy: 0.264 where: short stacking energy: 0.264 Base-Backbone interact. energy: -0.005 local terms energy: -20.070940 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.599 flat angles P-C4'-P energy: -4.934 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: 6, replica: 10 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -20.628161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.628161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.628161 (E_RNA) where: Base-Base interactions energy: -5.199 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.080 local terms energy: -15.349135 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -4.140 flat angles P-C4'-P energy: -1.453 tors. eta vs tors. theta energy: 0.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -19.981518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.981518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.981518 (E_RNA) where: Base-Base interactions energy: -0.152 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.397 local terms energy: -19.432201 where: bonds (distance) C4'-P energy: -3.135 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.444 flat angles P-C4'-P energy: -4.109 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: 8, replica: 1 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -19.810310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.810310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.810310 (E_RNA) where: Base-Base interactions energy: 0.121 where: short stacking energy: 0.121 Base-Backbone interact. energy: -0.006 local terms energy: -19.925862 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -3.933 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: -2.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -21.052749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.052749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.052749 (E_RNA) where: Base-Base interactions energy: -3.100 where: short stacking energy: 1.194 Base-Backbone interact. energy: -0.017 local terms energy: -17.935390 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.989 flat angles P-C4'-P energy: -4.415 tors. eta vs tors. theta energy: 1.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -20.935137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.935137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.935137 (E_RNA) where: Base-Base interactions energy: 0.486 where: short stacking energy: 0.486 Base-Backbone interact. energy: -0.071 local terms energy: -21.349632 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.025 flat angles P-C4'-P energy: -4.420 tors. eta vs tors. theta energy: -1.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -22.452182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.452182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.452182 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.487 local terms energy: -21.965388 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.713 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -4.087 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: 2, replica: 4 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -23.383413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.383413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.383413 (E_RNA) where: Base-Base interactions energy: -6.137 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.226 local terms energy: -17.020614 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -3.742 tors. eta vs tors. theta energy: 3.633 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: 3, replica: 3 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -22.926877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.926877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.926877 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.464 local terms energy: -22.462954 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.437 flat angles P-C4'-P energy: -3.777 tors. eta vs tors. theta energy: -2.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -19.877403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.877403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.877403 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.044 local terms energy: -19.833586 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.305 flat angles P-C4'-P energy: -4.113 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: 5, replica: 10 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -21.496121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.496121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.496121 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.787 local terms energy: -20.709111 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.707 flat angles P-C4'-P energy: -3.925 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: 6, replica: 9 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -19.189772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.189772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.189772 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.135 local terms energy: -19.054931 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.524 flat angles P-C4'-P energy: -3.264 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: 1 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -23.768281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.768281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.768281 (E_RNA) where: Base-Base interactions energy: -4.920 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.080 local terms energy: -18.768385 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -5.154 flat angles P-C4'-P energy: -4.152 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: 8, replica: 5 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -19.257443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.257443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.257443 (E_RNA) where: Base-Base interactions energy: 0.083 where: short stacking energy: 0.083 Base-Backbone interact. energy: -0.000 local terms energy: -19.340620 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -3.131 flat angles P-C4'-P energy: -3.851 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: 9, replica: 2 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -19.356878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.356878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.356878 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.356829 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -2.964 tors. eta vs tors. theta energy: -0.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -19.809764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.809764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.809764 (E_RNA) where: Base-Base interactions energy: 0.034 where: short stacking energy: 0.034 Base-Backbone interact. energy: -0.009 local terms energy: -19.835521 where: bonds (distance) C4'-P energy: -3.760 bonds (distance) P-C4' energy: -5.206 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -4.215 tors. eta vs tors. theta energy: -0.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -21.295685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.295685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.295685 (E_RNA) where: Base-Base interactions energy: 0.759 where: short stacking energy: 0.759 Base-Backbone interact. energy: -0.000 local terms energy: -22.054761 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -4.324 tors. eta vs tors. theta energy: -0.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -21.698518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.698518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.698518 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -21.694303 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -4.147 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: 3, replica: 4 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -21.450290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.450290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.450290 (E_RNA) where: Base-Base interactions energy: -4.732 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.139 local terms energy: -16.579142 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -3.130 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: 4, replica: 10 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -19.999718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.999718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.999718 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -19.906391 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.353 flat angles P-C4'-P energy: -3.364 tors. eta vs tors. theta energy: -0.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -19.402503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.402503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.402503 (E_RNA) where: Base-Base interactions energy: -2.998 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.044 local terms energy: -16.360816 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.566 flat angles P-C4'-P energy: -3.139 tors. eta vs tors. theta energy: 1.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -21.350052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.350052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.350052 (E_RNA) where: Base-Base interactions energy: -4.464 where: short stacking energy: 0.108 Base-Backbone interact. energy: -0.031 local terms energy: -16.855111 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -3.690 flat angles P-C4'-P energy: -3.790 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: 9 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -22.499814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.499814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.499814 (E_RNA) where: Base-Base interactions energy: -2.104 where: short stacking energy: 0.123 Base-Backbone interact. energy: -0.076 local terms energy: -20.319528 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.815 flat angles P-C4'-P energy: -3.054 tors. eta vs tors. theta energy: -1.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -20.166517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.166517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.166517 (E_RNA) where: Base-Base interactions energy: -3.947 where: short stacking energy: 0.146 Base-Backbone interact. energy: -0.202 local terms energy: -16.017340 where: bonds (distance) C4'-P energy: -3.304 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.894 flat angles P-C4'-P energy: -2.825 tors. eta vs tors. theta energy: 0.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -19.664565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.664565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.664565 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.102 local terms energy: -19.562252 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -3.636 flat angles P-C4'-P energy: -4.408 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: 10, replica: 7 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -18.108056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.108056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.108056 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -18.080024 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.003 flat angles P-C4'-P energy: -3.229 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: 1, replica: 8 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -23.785471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.785471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.785471 (E_RNA) where: Base-Base interactions energy: -5.318 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.051 local terms energy: -18.416306 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.326 flat angles P-C4'-P energy: -4.686 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: 3 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -22.543881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.543881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.543881 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -22.543032 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -4.315 tors. eta vs tors. theta energy: -2.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -23.327933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.327933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.327933 (E_RNA) where: Base-Base interactions energy: -3.338 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.986789 where: bonds (distance) C4'-P energy: -2.683 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.993 flat angles P-C4'-P energy: -4.627 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: 10 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -20.293116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.293116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.293116 (E_RNA) where: Base-Base interactions energy: -5.519 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.548 local terms energy: -14.225632 where: bonds (distance) C4'-P energy: -2.637 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.598 flat angles P-C4'-P energy: -3.848 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: 5, replica: 1 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -19.968669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.968669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.968669 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -19.956335 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -4.145 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: 6 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -20.750045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.750045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.750045 (E_RNA) where: Base-Base interactions energy: -0.611 where: short stacking energy: 0.842 Base-Backbone interact. energy: -0.042 local terms energy: -20.097464 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.524 flat angles P-C4'-P energy: -3.358 tors. eta vs tors. theta energy: -1.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -19.977974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.977974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.977974 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.973864 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -4.553 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -3.368 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: 9 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -20.472203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.472203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.472203 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -20.467054 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.721 flat angles P-C4'-P energy: -4.028 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: 9, replica: 7 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -19.842685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.842685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.842685 (E_RNA) where: Base-Base interactions energy: -1.748 where: short stacking energy: 0.276 Base-Backbone interact. energy: -0.261 local terms energy: -17.833660 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -3.948 flat angles P-C4'-P energy: -3.933 tors. eta vs tors. theta energy: 0.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -20.695595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.695595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.695595 (E_RNA) where: Base-Base interactions energy: -0.398 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -20.297211 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.584 flat angles P-C4'-P energy: -1.940 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: 8 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -22.550272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.550272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.550272 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.549781 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.568 flat angles P-C4'-P energy: -4.032 tors. eta vs tors. theta energy: -3.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -19.847355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.847355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.847355 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.064 local terms energy: -19.782910 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -4.336 tors. eta vs tors. theta energy: -0.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -20.312848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.312848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.312848 (E_RNA) where: Base-Base interactions energy: -2.175 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.205 local terms energy: -17.932546 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -3.781 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: 1 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -20.339331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.339331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.339331 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.338878 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.673 flat angles P-C4'-P energy: -3.111 tors. eta vs tors. theta energy: -1.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -20.854895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.854895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.854895 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.854628 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.260 flat angles P-C4'-P energy: -4.217 tors. eta vs tors. theta energy: -1.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -20.562845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.562845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.562845 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.817 local terms energy: -19.746027 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -5.114 flat angles P-C4'-P energy: -3.263 tors. eta vs tors. theta energy: -1.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -22.321595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.321595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.321595 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.321260 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -4.201 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: 7 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -19.038541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.038541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.038541 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.038175 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -2.620 flat angles P-C4'-P energy: -4.178 tors. eta vs tors. theta energy: -1.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -18.574092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.574092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.574092 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -18.544037 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -3.725 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: 10, replica: 5 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -20.746665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.746665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.746665 (E_RNA) where: Base-Base interactions energy: 0.885 where: short stacking energy: 0.885 Base-Backbone interact. energy: -0.008 local terms energy: -21.624520 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -4.532 tors. eta vs tors. theta energy: -2.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -22.441606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.441606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.441606 (E_RNA) where: Base-Base interactions energy: -4.946 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.499 local terms energy: -16.997243 where: bonds (distance) C4'-P energy: -3.934 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -2.346 tors. eta vs tors. theta energy: 0.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -22.825886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.825886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.825886 (E_RNA) where: Base-Base interactions energy: -3.926 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -18.873040 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.540 flat angles P-C4'-P energy: -4.123 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: 3, replica: 1 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -20.454976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.454976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.454976 (E_RNA) where: Base-Base interactions energy: -2.763 where: short stacking energy: 0.229 Base-Backbone interact. energy: -0.100 local terms energy: -17.591661 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -0.619 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: 3 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -20.260407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.260407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.260407 (E_RNA) where: Base-Base interactions energy: 0.412 where: short stacking energy: 0.412 Base-Backbone interact. energy: -0.000 local terms energy: -20.671946 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: -3.422 tors. eta vs tors. theta energy: -1.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -19.843401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.843401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.843401 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.843100 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -2.912 tors. eta vs tors. theta energy: -0.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -19.617427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.617427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.617427 (E_RNA) where: Base-Base interactions energy: -4.841 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.159 local terms energy: -14.617858 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.051 flat angles P-C4'-P energy: -2.526 tors. eta vs tors. theta energy: 3.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -19.619700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.619700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.619700 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.617798 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -4.638 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: 8, replica: 6 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -20.051872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.051872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.051872 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.051792 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -2.838 tors. eta vs tors. theta energy: -1.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -19.396385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.396385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.396385 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.395187 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -3.470 flat angles P-C4'-P energy: -4.521 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: 10, replica: 9 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -18.610713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.610713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.610713 (E_RNA) where: Base-Base interactions energy: -1.028 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.261 local terms energy: -17.322389 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -3.641 tors. eta vs tors. theta energy: 2.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -22.138828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.138828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.138828 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.388 local terms energy: -21.751032 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.098 flat angles P-C4'-P energy: -3.866 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: 2, replica: 1 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -23.488425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.488425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.488425 (E_RNA) where: Base-Base interactions energy: -4.698 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.447 local terms energy: -18.342675 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.062 flat angles P-C4'-P energy: -3.388 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: 3, replica: 8 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -22.578484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.578484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.578484 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -22.577834 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.831 flat angles P-C4'-P energy: -4.372 tors. eta vs tors. theta energy: -3.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -21.117560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.117560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.117560 (E_RNA) where: Base-Base interactions energy: 0.959 where: short stacking energy: 0.959 Base-Backbone interact. energy: -0.014 local terms energy: -22.062168 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.098 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -4.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -20.471158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.471158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.471158 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.539 local terms energy: -19.932462 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.048 flat angles P-C4'-P energy: -3.558 tors. eta vs tors. theta energy: -1.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -20.244716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.244716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.244716 (E_RNA) where: Base-Base interactions energy: -5.404 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.118 local terms energy: -14.722699 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -3.963 flat angles C4'-P-C4' energy: -4.435 flat angles P-C4'-P energy: -3.848 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: 7, replica: 10 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -20.769816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.769816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.769816 (E_RNA) where: Base-Base interactions energy: -1.487 where: short stacking energy: 0.320 Base-Backbone interact. energy: -0.000 local terms energy: -19.282496 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.391 flat angles P-C4'-P energy: -3.754 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: 8, replica: 5 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -19.243145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.243145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.243145 (E_RNA) where: Base-Base interactions energy: 0.032 where: short stacking energy: 0.032 Base-Backbone interact. energy: -0.000 local terms energy: -19.274446 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.965 flat angles P-C4'-P energy: -3.004 tors. eta vs tors. theta energy: -0.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -20.823104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.823104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.823104 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.044 local terms energy: -20.779482 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.493 flat angles P-C4'-P energy: -3.073 tors. eta vs tors. theta energy: -2.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -18.359419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.359419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.359419 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.359065 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -1.104 flat angles P-C4'-P energy: -3.635 tors. eta vs tors. theta energy: -3.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -24.336627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.336627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.336627 (E_RNA) where: Base-Base interactions energy: -3.090 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.803 local terms energy: -20.443651 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.340 flat angles P-C4'-P energy: -3.502 tors. eta vs tors. theta energy: -1.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -25.377924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.377924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.377924 (E_RNA) where: Base-Base interactions energy: -5.152 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -20.212236 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -4.987 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: 2 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -21.009843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.009843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.009843 (E_RNA) where: Base-Base interactions energy: -2.105 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.180 local terms energy: -18.725408 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -3.814 flat angles P-C4'-P energy: -4.523 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: 4, replica: 8 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -20.073203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.073203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.073203 (E_RNA) where: Base-Base interactions energy: -4.902 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.189 local terms energy: -14.982254 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -4.791 flat angles P-C4'-P energy: -3.456 tors. eta vs tors. theta energy: 2.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -19.637602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.637602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.637602 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -19.622622 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.397 flat angles P-C4'-P energy: -3.367 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: 6, replica: 3 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -22.072668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.072668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.072668 (E_RNA) where: Base-Base interactions energy: -4.893 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.063 local terms energy: -17.116477 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -4.458 flat angles C4'-P-C4' energy: -3.972 flat angles P-C4'-P energy: -3.960 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: 7, replica: 5 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -20.006537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.006537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.006537 (E_RNA) where: Base-Base interactions energy: 0.065 where: short stacking energy: 0.065 Base-Backbone interact. energy: -0.117 local terms energy: -19.955122 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: 0.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -20.485789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.485789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.485789 (E_RNA) where: Base-Base interactions energy: -4.348 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -16.131188 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.824 flat angles P-C4'-P energy: -1.438 tors. eta vs tors. theta energy: 1.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -19.679754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.679754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.679754 (E_RNA) where: Base-Base interactions energy: -4.009 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -15.649672 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.685 flat angles P-C4'-P energy: -2.109 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: 9 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -19.988290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.988290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.988290 (E_RNA) where: Base-Base interactions energy: -2.215 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -17.772970 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.684 flat angles P-C4'-P energy: -2.651 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: 1, replica: 1 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -23.684973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.684973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.684973 (E_RNA) where: Base-Base interactions energy: -5.376 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -18.294424 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -3.492 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: 2 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -20.779205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.779205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.779205 (E_RNA) where: Base-Base interactions energy: -5.640 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.123 local terms energy: -15.015500 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.216 flat angles P-C4'-P energy: -2.559 tors. eta vs tors. theta energy: 3.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -21.647724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.647724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.647724 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.647208 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -3.344 tors. eta vs tors. theta energy: -3.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -19.976639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.976639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.976639 (E_RNA) where: Base-Base interactions energy: 0.142 where: short stacking energy: 0.142 Base-Backbone interact. energy: -0.178 local terms energy: -19.940551 where: bonds (distance) C4'-P energy: -3.313 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.910 flat angles P-C4'-P energy: -4.801 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: 5, replica: 8 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -20.482654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.482654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.482654 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.038 local terms energy: -20.444828 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: -1.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -21.783453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.783453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.783453 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.120 local terms energy: -21.663367 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.041 flat angles P-C4'-P energy: -3.923 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: 7, replica: 3 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -21.603661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.603661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.603661 (E_RNA) where: Base-Base interactions energy: -4.358 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.333 local terms energy: -16.913301 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.923 flat angles P-C4'-P energy: -0.157 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: 8, replica: 6 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -20.446413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.446413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.446413 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.446288 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.048 flat angles P-C4'-P energy: -3.672 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: 10 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -20.378784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.378784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.378784 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.693 local terms energy: -19.685734 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.349 flat angles P-C4'-P energy: -4.381 tors. eta vs tors. theta energy: 0.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -19.499981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.499981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.499981 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.495355 where: bonds (distance) C4'-P energy: -3.163 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.826 flat angles P-C4'-P energy: -4.582 tors. eta vs tors. theta energy: -1.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -24.371262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.371262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.371262 (E_RNA) where: Base-Base interactions energy: -4.241 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -20.030969 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.065 flat angles P-C4'-P energy: -4.210 tors. eta vs tors. theta energy: -0.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -21.167988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.167988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.167988 (E_RNA) where: Base-Base interactions energy: -3.586 where: short stacking energy: 0.154 Base-Backbone interact. energy: -0.098 local terms energy: -17.484470 where: bonds (distance) C4'-P energy: -4.447 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.430 flat angles P-C4'-P energy: -3.709 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: 7 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -19.619990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.619990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.619990 (E_RNA) where: Base-Base interactions energy: -2.711 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.057 local terms energy: -16.965790 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -5.471 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: 3.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -20.412691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.412691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.412691 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.109 local terms energy: -20.303571 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -5.094 flat angles P-C4'-P energy: -3.797 tors. eta vs tors. theta energy: -1.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -21.280826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.280826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.280826 (E_RNA) where: Base-Base interactions energy: -3.748 where: short stacking energy: 0.249 Base-Backbone interact. energy: -0.993 local terms energy: -16.538971 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.375 flat angles P-C4'-P energy: -2.732 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: 6, replica: 8 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -20.022029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.022029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.022029 (E_RNA) where: Base-Base interactions energy: -4.273 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -15.741614 where: bonds (distance) C4'-P energy: -3.652 bonds (distance) P-C4' energy: -5.075 flat angles C4'-P-C4' energy: -4.260 flat angles P-C4'-P energy: -2.905 tors. eta vs tors. theta energy: 0.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -20.536355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.536355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.536355 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.003 local terms energy: -20.733203 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -4.216 tors. eta vs tors. theta energy: 0.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -21.504320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.504320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.504320 (E_RNA) where: Base-Base interactions energy: -1.630 where: short stacking energy: 0.034 Base-Backbone interact. energy: -0.099 local terms energy: -19.775330 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -1.315 tors. eta vs tors. theta energy: -1.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -19.601670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.601670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.601670 (E_RNA) where: Base-Base interactions energy: -2.509 where: short stacking energy: 0.800 Base-Backbone interact. energy: -0.178 local terms energy: -16.915428 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -3.789 flat angles C4'-P-C4' energy: -4.429 flat angles P-C4'-P energy: -4.124 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: 10, replica: 10 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -17.863560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.863560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.863560 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.103 local terms energy: -17.760432 where: bonds (distance) C4'-P energy: -4.653 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: 0.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -20.476442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.476442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.476442 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.163 local terms energy: -20.313390 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -3.887 tors. eta vs tors. theta energy: -0.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -21.587010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.587010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.587010 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -21.577884 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -4.580 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: 3, replica: 2 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -22.648071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.648071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.648071 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -22.647407 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.287 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: -3.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -20.376417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.376417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.376417 (E_RNA) where: Base-Base interactions energy: -3.041 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.040 local terms energy: -17.294902 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -3.326 tors. eta vs tors. theta energy: 0.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -22.114253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.114253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.114253 (E_RNA) where: Base-Base interactions energy: 0.949 where: short stacking energy: 0.949 Base-Backbone interact. energy: -1.181 local terms energy: -21.881632 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -2.538 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: 6, replica: 6 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -20.347319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.347319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.347319 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.344765 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.215 flat angles P-C4'-P energy: -4.668 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: 7, replica: 8 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -19.827254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.827254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.827254 (E_RNA) where: Base-Base interactions energy: -2.241 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -17.568293 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.547 flat angles P-C4'-P energy: -3.139 tors. eta vs tors. theta energy: 0.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -20.720358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.720358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.720358 (E_RNA) where: Base-Base interactions energy: -1.972 where: short stacking energy: 0.500 Base-Backbone interact. energy: -0.052 local terms energy: -18.696228 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -3.339 flat angles C4'-P-C4' energy: -4.537 flat angles P-C4'-P energy: -4.040 tors. eta vs tors. theta energy: -2.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -20.444179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.444179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.444179 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.037 local terms energy: -20.407021 where: bonds (distance) C4'-P energy: -4.393 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.514 flat angles P-C4'-P energy: -4.753 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: 10 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -21.422551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.422551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.422551 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.422519 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -4.638 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: 1, replica: 7 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -21.260827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.260827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.260827 (E_RNA) where: Base-Base interactions energy: -1.469 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.181 local terms energy: -19.610432 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -3.282 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: 2, replica: 1 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -21.987351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.987351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.987351 (E_RNA) where: Base-Base interactions energy: -1.149 where: short stacking energy: 0.150 Base-Backbone interact. energy: -0.000 local terms energy: -20.838260 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.121 flat angles P-C4'-P energy: -4.243 tors. eta vs tors. theta energy: -2.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -21.744986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.744986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.744986 (E_RNA) where: Base-Base interactions energy: 0.432 where: short stacking energy: 0.432 Base-Backbone interact. energy: -0.000 local terms energy: -22.176487 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.849 flat angles P-C4'-P energy: -4.556 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: 5 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -21.248632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.248632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.248632 (E_RNA) where: Base-Base interactions energy: -4.771 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.496 local terms energy: -16.973490 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.087 flat angles P-C4'-P energy: -3.082 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: 6 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -19.604125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.604125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.604125 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -19.507881 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.216 flat angles P-C4'-P energy: -3.392 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: 4 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -19.411185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.411185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.411185 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -19.510925 where: bonds (distance) C4'-P energy: -3.906 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.811 flat angles P-C4'-P energy: -4.056 tors. eta vs tors. theta energy: -2.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -19.057336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.057336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.057336 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.019 local terms energy: -19.038581 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.737 flat angles C4'-P-C4' energy: -4.258 flat angles P-C4'-P energy: -4.672 tors. eta vs tors. theta energy: -0.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -20.006282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.006282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.006282 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -20.001384 where: bonds (distance) C4'-P energy: -3.644 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -4.645 tors. eta vs tors. theta energy: -0.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -20.631825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.631825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.631825 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.631759 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.297 flat angles P-C4'-P energy: -4.276 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: 10, replica: 3 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -19.155763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.155763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.155763 (E_RNA) where: Base-Base interactions energy: -3.970 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.155 local terms energy: -15.341386 where: bonds (distance) C4'-P energy: -3.134 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -3.512 flat angles P-C4'-P energy: -4.227 tors. eta vs tors. theta energy: 0.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -21.565909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.565909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.565909 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.068 local terms energy: -21.498329 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -3.518 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: 2, replica: 2 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -21.438261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.438261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.438261 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -21.338624 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.042 flat angles P-C4'-P energy: -4.121 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: 1 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -22.981397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.981397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.981397 (E_RNA) where: Base-Base interactions energy: -1.556 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -21.420023 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.072 flat angles P-C4'-P energy: -4.824 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: 4, replica: 6 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -20.689621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.689621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.689621 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -20.589788 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.920 flat angles P-C4'-P energy: -4.447 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: 5, replica: 5 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -20.380783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.380783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.380783 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.380525 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.131 flat angles P-C4'-P energy: -3.352 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: 4 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -20.295980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.295980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.295980 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.295836 where: bonds (distance) C4'-P energy: -2.861 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -4.906 flat angles P-C4'-P energy: -3.452 tors. eta vs tors. theta energy: -3.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -20.770825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.770825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.770825 (E_RNA) where: Base-Base interactions energy: -1.313 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.086 local terms energy: -19.371945 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.423 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -2.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -19.377587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.377587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.377587 (E_RNA) where: Base-Base interactions energy: 0.086 where: short stacking energy: 0.086 Base-Backbone interact. energy: -0.000 local terms energy: -19.463206 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.525 flat angles P-C4'-P energy: -3.923 tors. eta vs tors. theta energy: -1.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -20.450433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.450433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.450433 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -20.352399 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.496 flat angles P-C4'-P energy: -3.704 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: 10, replica: 3 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -20.287581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.287581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.287581 (E_RNA) where: Base-Base interactions energy: -0.692 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -19.505018 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.797 flat angles P-C4'-P energy: -3.091 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) replica 2 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 8295496 moves confirmed later: 11385980 all moves confirmed: 19681476 percent of confirmed moves: 2.460184 current total energy: -15.875501 recalc. total energy: -15.875501 replica 7 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 8301366 moves confirmed later: 11391789 all moves confirmed: 19693155 percent of confirmed moves: 2.461644 current total energy: -7.821749 recalc. total energy: -7.821749 replica 6 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 8293730 moves confirmed later: 11383917 all moves confirmed: 19677647 percent of confirmed moves: 2.459706 current total energy: -10.539934 recalc. total energy: -10.539934 replica 1 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 8299031 moves confirmed later: 11395484 all moves confirmed: 19694515 percent of confirmed moves: 2.461814 current total energy: -5.504923 recalc. total energy: -5.504923 replica 5 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 8298652 moves confirmed later: 11379537 all moves confirmed: 19678189 percent of confirmed moves: 2.459774 current total energy: -8.742539 recalc. total energy: -8.742539 replica 4 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 8288081 moves confirmed later: 11375783 all moves confirmed: 19663864 percent of confirmed moves: 2.457983 current total energy: -5.040222 recalc. total energy: -5.040222 replica 10 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 8293637 moves confirmed later: 11387303 all moves confirmed: 19680940 percent of confirmed moves: 2.460117 current total energy: -1.687206 recalc. total energy: -1.687206 replica 9 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 8284770 moves confirmed later: 11379147 all moves confirmed: 19663917 percent of confirmed moves: 2.457990 current total energy: 0.907429 recalc. total energy: 0.907429 replica 3 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 8297160 moves confirmed later: 11385469 all moves confirmed: 19682629 percent of confirmed moves: 2.460329 current total energy: 10.314716 recalc. total energy: 10.314716 replica 8 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 8301568 moves confirmed later: 11386888 all moves confirmed: 19688456 percent of confirmed moves: 2.461057 current total energy: -5.511869 recalc. total energy: -5.511869 out arg RESULTS//1/2rqc_rna-f61fed58_01 Time of doing 8000000 iterations: 130.619 seconds